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Screening compounds

Validamycin B

Also known as Antibiotic T-7545-B, Val-B, 2,3,5-Trihydroxy-6-(hydroxymethyl)-4-{[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexyl hexopyranoside

CAS 102583-47-1Formula C20H35NO14Molar mass 513.49 g/mol
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Validamycin B chemical structure, C20H35NO14, CAS 102583-47-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
102583-47-1
Formula
C20H35NO14
Molar mass
513.49 g/mol
HS code
293299
Category
Screening compounds

What is Validamycin B?

Plain description, key identifiers and synonyms

Antibiotic T-7545-B has been reported in Streptomyces hygroscopicus.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[(1R,2R,3S,4R,5R,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)-4-[[(1R,4S,5R,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexyl]oxyoxane-3,4,5-triol
CAS number
102583-47-1 CAS number cross-checked
Molecular formula
C20H35NO14
InChIKey
QYKWCMVFBWGYRE-IVFZNUECSA-N
InChI
InChI=1S/C20H35NO14/c22-2-5-1-7(12(27)15(30)10(5)25)21-9-11(26)6(3-23)19(17(32)14(9)29)35-20-18(33)16(31)13(28)8(4-24)34-20/h1,6-33H,2-4H2/t6-,7+,8-,9+,10-,11+,12+,13-,14-,15+,16+,17+,18-,19+,20+/m0/s1
Canonical SMILES
OCC1=CC(NC2C(O)C(O)C(OC3OC(CO)C(O)C(O)C3O)C(CO)C2O)C(O)C(O)C1O
Isomeric SMILES
C1=C([C@@H]([C@H]([C@@H]([C@@H]1N[C@@H]2[C@@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)O)CO)O)O)O)O)CO

Synonyms

  • Antibiotic T-7545-B
  • Val-B
  • 2,3,5-Trihydroxy-6-(hydroxymethyl)-4-{[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexyl hexopyranoside

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
513.49 g/molcalc.
Exact mass
513.2058 Dacalc.
LogP (octanol/water)
-7.78calc.
Topological polar surface area
273.3 Ųcalc.
Hydrogen bond donors
13calc.
Hydrogen bond acceptors
15calc.
Rotatable bonds
7calc.
Heavy atoms
35calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.9calc.
Formal charge
0calc.
Stereocentres
15calc.
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, C1=CC(NC2CCC(OC3CCCCO3)CC2)CCC1

C1=CC(NC2CCC(OC3CCCCO3)CC2)CCC1

3 rings, 20 atoms.

3 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.

Validamycin B suppliers

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Validamycin B 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

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 Validamycin B is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Validamycin B, based on the data on this page

What is Validamycin B?

Antibiotic T-7545-B has been reported in Streptomyces hygroscopicus.

What is the CAS number of Validamycin B?

The CAS registry number of Validamycin B is 102583-47-1.

What is the molecular formula and weight of Validamycin B?

The molecular formula of Validamycin B is C20H35NO14 and its molar mass is 513.49 g/mol.

What is Validamycin B used for?

Known uses and roles of Validamycin B include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Validamycin B hazardous?

No GHS hazard classification for Validamycin B 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 Validamycin B?

Validamycin B is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Validamycin B?

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

What is the price of Validamycin B?

Suppliers quote Validamycin B 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 Validamycin B

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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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