CompoundList
Sign in
Glycosides and other natural products

96E4WR2Jgl

Also known as Dodecanoic acid, 3-((3-((6-deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-mannopyranosyl)oxy)-1-oxodecyl)oxy)-

CAS 154886-55-2Formula C34H62O13Molar mass 678.86 g/mol
Get quotes Safety data
96E4WR2Jgl chemical structure, C34H62O13, CAS 154886-55-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
154886-55-2
Formula
C34H62O13
Molar mass
678.86 g/mol
HS code
293890
Category
Glycosides and other natural products

What is 96E4WR2Jgl?

Plain description, key identifiers and synonyms

96E4WR2Jgl is a chemical substance with the molecular formula C34H62O13 and a molar mass of 678.86 g/mol. Its CAS registry number is 154886-55-2. The IUPAC name is 3-[3-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxydecanoyloxy]dodecanoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-[3-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxydecanoyloxy]dodecanoic acid
CAS number
154886-55-2
Molecular formula
C34H62O13
UNII
96E4WR2JGL
InChIKey
NBDSBMVGYZLXLJ-QSFPOUSZSA-N
InChI
InChI=1S/C34H62O13/c1-5-7-9-11-12-14-16-17-23(19-25(35)36)45-26(37)20-24(18-15-13-10-8-6-2)46-34-32(30(41)28(39)22(4)44-34)47-33-31(42)29(40)27(38)21(3)43-33/h21-24,27-34,38-42H,5-20H2,1-4H3,(H,35,36)/t21-,22-,23?,24?,27-,28-,29+,30+,31+,32+,33-,34-/m0/s1
Canonical SMILES
CCCCCCCCCC(CC(=O)O)OC(=O)CC(CCCCCCC)OC1OC(C)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O
Isomeric SMILES
CCCCCCCCCC(CC(=O)O)OC(=O)CC(CCCCCCC)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O

Synonyms

  • Dodecanoic acid, 3-((3-((6-deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-mannopyranosyl)oxy)-1-oxodecyl)oxy)-

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
678.86 g/molcalc.
Exact mass
678.419 Dacalc.
LogP (octanol/water)
3.33calc.
Topological polar surface area
201.7 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
12calc.
Rotatable bonds
23calc.
Heavy atoms
47calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.94calc.
Formal charge
0calc.
Stereocentres
12calc.
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, C1CCC(OC2CCCOC2)OC1

C1CCC(OC2CCCOC2)OC1

2 rings, 13 atoms.

536 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.

96E4WR2Jgl suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade 96E4WR2Jgl can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

96E4WR2Jgl price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

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 96E4WR2Jgl is traded under.

HS 2938.90Indicative HS code

Natural or reproduced by synthesis, other than rutoside (rutin) and its derivatives

World exports in 2024
$1.4B
−8.3% vs 2023, imports $1.35B
2019 to 2024
Top exporters
  1. China49.2%
  2. France * partner reported8.9%
  3. Malaysia6.1%
Top importers
  1. United States22.3%
  2. India * partner reported7.8%
  3. Brazil5.5%

* Partner reported figures, a lower bound.

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

The HS code shown for 96E4WR2Jgl is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 96E4WR2Jgl, based on the data on this page

What is 96E4WR2Jgl?

96E4WR2Jgl is a chemical substance with the molecular formula C34H62O13 and a molar mass of 678.86 g/mol. Its CAS registry number is 154886-55-2. The IUPAC name is 3-[3-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxydecanoyloxy]dodecanoic acid.

What is the CAS number of 96E4WR2Jgl?

The CAS registry number of 96E4WR2Jgl is 154886-55-2.

What is the molecular formula and weight of 96E4WR2Jgl?

The molecular formula of 96E4WR2Jgl is C34H62O13 and its molar mass is 678.86 g/mol.

Is 96E4WR2Jgl hazardous?

No GHS hazard classification for 96E4WR2Jgl 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 96E4WR2Jgl?

96E4WR2Jgl is usually classified under HS code 293890 (Glycosides, natural or reproduced by synthesis, and their salts, ethers, esters and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 96E4WR2Jgl?

Post a free request on CompoundList and suppliers of 96E4WR2Jgl will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 96E4WR2Jgl?

Suppliers quote 96E4WR2Jgl 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 96E4WR2Jgl

Get quotes for 96E4WR2Jgl

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell 96E4WR2Jgl
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of 96E4WR2Jgl with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/96e4wr2jgl-154886-55-2" title="96E4WR2Jgl structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Glycosides and other natural products or HS code 293890

Price on request
Free quotes, contact stays private
Get quotes