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Impurities and reference standards

Vancomycin methyl ester

Also known as Vancomycin impurity 17

CAS 250273-66-6Formula C67H77Cl2N9O24Molar mass 1,463.30 g/mol
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Vancomycin methyl ester chemical structure, C67H77Cl2N9O24, CAS 250273-66-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
250273-66-6
Formula
C67H77Cl2N9O24
Molar mass
1,463.30 g/mol
HS code
294190
Category
Impurities and reference standards

What is Vancomycin methyl ester?

Plain description, key identifiers and synonyms

Vancomycin methyl ester is a chemical substance with the molecular formula C67H77Cl2N9O24 and a molar mass of 1,463.30 g/mol. Its CAS registry number is 250273-66-6. The IUPAC name is methyl (1S,2R,18R,19R,22S,25R,28R,40S)-48-[(2S,3R,4S,5S,6R)-3-[(2S,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl (1S,2R,18R,19R,22S,25R,28R,40S)-48-[(2S,3R,4S,5S,6R)-3-[(2S,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylate
CAS number
250273-66-6
Molecular formula
C67H77Cl2N9O24
InChIKey
DEHRLQFJHJGOCL-MOCCSWDBSA-N
InChI
InChI=1S/C67H77Cl2N9O24/c1-24(2)13-35(72-5)59(89)77-50-52(84)27-8-11-39(33(68)15-27)98-41-17-29-18-42(56(41)102-66-57(55(87)54(86)43(23-79)100-66)101-45-22-67(4,71)58(88)25(3)97-45)99-40-12-9-28(16-34(40)69)53(85)51-64(94)76-49(65(95)96-6)32-19-30(80)20-38(82)46(32)31-14-26(7-10-37(31)81)47(61(91)78-51)75-62(92)48(29)74-60(90)36(21-44(70)83)73-63(50)93/h7-12,14-20,24-25,35-36,43,45,47-55,57-58,66,72,79-82,84-88H,13,21-23,71H2,1-6H3,(H2,70,83)(H,73,93)(H,74,90)(H,75,92)(H,76,94)(H,77,89)(H,78,91)/t25-,35+,36-,43+,45-,47+,48+,49-,50+,51-,52+,53+,54+,55-,57+,58+,66-,67-/m0/s1
Canonical SMILES
CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)OC)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3OC2OC(CO)C(O)C(O)C2OC2CC(C)(N)C(O)C(C)O2)Oc2ccc(cc2Cl)C1O
Isomeric SMILES
C[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9O)O)[C@H](NC(=O)[C@H]([C@@H](C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)OC)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)Cl)CO)O)O)(C)N)O

Synonyms

  • Vancomycin impurity 17

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
1,463.30 g/molcalc.
Exact mass
1,461.4459 Dacalc.
LogP (octanol/water)
0.19calc.
Topological polar surface area
519.5 Ųcalc.
Hydrogen bond donors
18calc.
Hydrogen bond acceptors
26calc.
Rotatable bonds
13calc.
Heavy atoms
102calc.
Rings
12calc.
Aromatic rings
5calc.
Fraction sp3 carbons
0.43calc.
Formal charge
0calc.
Stereocentres
18calc.
Lipinski rule of five
Fails (3 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1CCc2ccc(cc2)Oc2cc3cc(c2OC2OCCCC2OC2CCCCO2)Oc2ccc(cc2)CC2NC(=O)C(NC(=O)C3NC(=O)CN1)c1cccc(c1)-c1ccccc1CNC2=O

O=C1CCc2ccc(cc2)Oc2cc3cc(c2OC2OCCCC2OC2CCCCO2)Oc2ccc(cc2)CC2NC(=O)C(NC(=O)C3NC(=O)CN1)c1cccc(c1)-c1ccccc1CNC2=O

12 rings, 69 atoms.

17 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Vancomycin methyl ester suppliers

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Vancomycin methyl ester price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Vancomycin methyl ester is traded under.

HS 2941.90Indicative HS code

Antibiotics, other

World exports in 2024
$6.39B
+2.3% vs 2023, imports $6.97B
2019 to 2024
Top exporters
  1. China39.7%
  2. United States11.3%
  3. Switzerland * partner reported10.9%
Top importers
  1. Italy15.0%
  2. India * partner reported12.0%
  3. China8.7%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Vancomycin methyl ester is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Vancomycin methyl ester, based on the data on this page

What is Vancomycin methyl ester?

Vancomycin methyl ester is a chemical substance with the molecular formula C67H77Cl2N9O24 and a molar mass of 1,463.30 g/mol. Its CAS registry number is 250273-66-6.

What is the CAS number of Vancomycin methyl ester?

The CAS registry number of Vancomycin methyl ester is 250273-66-6.

What is the molecular formula and weight of Vancomycin methyl ester?

The molecular formula of Vancomycin methyl ester is C67H77Cl2N9O24 and its molar mass is 1,463.30 g/mol.

Is Vancomycin methyl ester hazardous?

No GHS hazard classification for Vancomycin methyl ester is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Vancomycin methyl ester?

Vancomycin methyl ester is usually classified under HS code 294190 (Antibiotics, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Vancomycin methyl ester?

Post a free request on CompoundList and suppliers of Vancomycin methyl ester will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Vancomycin methyl ester?

Suppliers quote Vancomycin methyl ester on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Vancomycin methyl ester

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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