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Carbohydrates and sugars

Orb2695087

Also known as (2E)-3-[4-(beta-D-Glucopyranosyloxy)-3,5-dimethoxyphenyl]prop-2-en-1-yl beta-D-glucopyranoside, (2E)-3-[4-(I(2)-D-Glucopyranosyloxy)-3,5-dimethoxyphenyl]-2-propen-1-yl I(2)-D-glucopyranoside

CAS 152686-85-6Formula C23H34O14Molar mass 534.51 g/mol
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Orb2695087 chemical structure, C23H34O14, CAS 152686-85-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
152686-85-6
Formula
C23H34O14
Molar mass
534.51 g/mol
HS code
294000
Category
Carbohydrates and sugars

What is Orb2695087?

Plain description, key identifiers and synonyms

Orb2695087 is a chemical substance with the molecular formula C23H34O14 and a molar mass of 534.51 g/mol. Its CAS registry number is 152686-85-6. The IUPAC name is (2R,3R,4S,5S,6R)-2-[(E)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2R,3R,4S,5S,6R)-2-[(E)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CAS number
152686-85-6
Molecular formula
C23H34O14
InChIKey
RYVGCUJETSKZDU-YQHZJLNZSA-N
InChI
InChI=1S/C23H34O14/c1-32-11-6-10(4-3-5-34-22-19(30)17(28)15(26)13(8-24)35-22)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(9-25)36-23/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1
Canonical SMILES
COc1cc(C=CCOC2OC(CO)C(O)C(O)C2O)cc(OC)c1OC1OC(CO)C(O)C(O)C1O
Isomeric SMILES
COC1=CC(=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC)/C=C/CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

Synonyms

  • (2E)-3-[4-(beta-D-Glucopyranosyloxy)-3,5-dimethoxyphenyl]prop-2-en-1-yl beta-D-glucopyranoside
  • (2E)-3-[4-(I(2)-D-Glucopyranosyloxy)-3,5-dimethoxyphenyl]-2-propen-1-yl I(2)-D-glucopyranoside

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
534.51 g/molcalc.
Exact mass
534.1949 Dacalc.
LogP (octanol/water)
-3.29calc.
Topological polar surface area
217.2 Ųcalc.
Hydrogen bond donors
8calc.
Hydrogen bond acceptors
14calc.
Rotatable bonds
10calc.
Heavy atoms
37calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.65calc.
Formal charge
0calc.
Stereocentres
10calc.
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, C(=Cc1ccc(OC2CCCCO2)cc1)COC1CCCCO1

C(=Cc1ccc(OC2CCCCO2)cc1)COC1CCCCO1

3 rings, 23 atoms.

1 other chemical 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.

Orb2695087 suppliers

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Orb2695087 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 Orb2695087 is traded under.

HS 2940.00Indicative HS code

Sugar ethers, sugar acetals and sugar esters, and their salts, other than the products of heading 29.37…

World exports in 2024
$1.4B
−5.4% vs 2023, imports $1.42B
2019 to 2024
Top exporters
  1. Germany23.7%
  2. China20.6%
  3. United States11.5%
Top importers
  1. United States14.0%
  2. Japan7.4%
  3. Germany6.1%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Orb2695087 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb2695087, based on the data on this page

What is Orb2695087?

Orb2695087 is a chemical substance with the molecular formula C23H34O14 and a molar mass of 534.51 g/mol. Its CAS registry number is 152686-85-6.

What is the CAS number of Orb2695087?

The CAS registry number of Orb2695087 is 152686-85-6.

What is the molecular formula and weight of Orb2695087?

The molecular formula of Orb2695087 is C23H34O14 and its molar mass is 534.51 g/mol.

Is Orb2695087 hazardous?

No GHS hazard classification for Orb2695087 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 Orb2695087?

Orb2695087 is usually classified under HS code 294000 (Sugars, chemically pure, other than sucrose, lactose, maltose, glucose and fructose…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb2695087?

Post a free request on CompoundList and suppliers of Orb2695087 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb2695087?

Suppliers quote Orb2695087 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 Orb2695087

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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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