Structure

Coniferin

CAS
531-29-3
Catalog Number
ACM531293
Category
Main Products
Molecular Weight
342.3
Molecular Formula
C16H22O8

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Specification

Synonyms
b-Glucopyranoside, 4-(3-hydroxy-1-propen-1-yl)-2-methoxyphenyl
IUPAC Name
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]oxane-3,4,5-triol
Canonical SMILES
COC1=C(C=CC(=C1)C=CCO)OC2C(C(C(C(O2)CO)O)O)O
InChI
InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1
InChI Key
SFLMUHDGSQZDOW-FAOXUISGSA-N
Boiling Point
625.4 ± 55.0 °C
Appearance
Powder
What is the molecular formula of Coniferin?

The molecular formula of Coniferin is C16H22O8.

What is the molecular weight of Coniferin?

The molecular weight of Coniferin is 342.34 g/mol.

What is the IUPAC name of Coniferin?

The IUPAC name of Coniferin is (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]oxane-3,4,5-triol.

What is the InChI of Coniferin?

The InChI of Coniferin is InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1.

What is the InChIKey of Coniferin?

The InChIKey of Coniferin is SFLMUHDGSQZDOW-FAOXUISGSA-N.

What are the synonyms of Coniferin?

The synonyms of Coniferin are Abietin, Laricin, and Coniferoside.

Is Coniferin found in any natural products?

Yes, Coniferin is found in Salacia chinensis, Astragalus onobrychis, and other organisms with available data.

What is the CAS number of Coniferin?

The CAS number of Coniferin is 531-29-3.

What is the XLogP3 value of Coniferin?

The XLogP3 value of Coniferin is -1.3.

What is the topological polar surface area of Coniferin?

The topological polar surface area of Coniferin is 129Ų.

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