a-D-Glucopyranoside,phenylmethyl2-(acetylamino)-2-deoxy-3-O-methyl-

CAS

93215-41-9

Catalog Number

ACM93215419

Category

Other Products

Molecular Weight

325.359

Molecular Formula

C₁₆H₂₃NO₆

MSDS COA Spec Sheet

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Specification

Synonyms

93215-41-9, FT-0662658, Benzyl 2-Acetamido-3-O-methyl-|A-D-glucopyranoside, Phenylmethyl 2-(Acetylamino)-2-deoxy-3-O-methyl-|A-D-glucopyranoside

IUPAC Name

N-[(2S,3R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-methoxy-2-phenylmethoxyoxan-3-yl]acetamide

Canonical SMILES

CC(=O)NC1C(C(C(OC1OCC2=CC=CC=C2)CO)O)OC

InChI Key

CQYQHQHAWKRHIV-QCODTGAPSA-N

Boiling Point

569.05ºC at 760 mmHg

Melting Point

165-167ºC

Flash Point

297.951ºC

Density

1.269g/cm³

Exact Mass

325.15300

H-Bond Acceptor

H-Bond Donor

What is the chemical formula of the compound?

The chemical formula of the compound is C16H23NO6.

What are the synonyms for the compound?

The synonyms for the compound are Benzyl 2-acetamido-2-deoxy-3-O-methyl-a-D-glucopyranoside, Benzyl 2-Acetamido-3-O-methyl-alpha-D-glucopyranoside, and N-[(2S,3R,4R,5S,6R)-5-Hydroxy-6-(hydroxymethyl)-4-methoxy-2-phenylmethoxyoxan-3-yl]acetamide.

What is the molecular weight of the compound?

The molecular weight of the compound is 325.36 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is N-[(2S,3R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-methoxy-2-phenylmethoxyoxan-3-yl]acetamide.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C16H23NO6/c1-10(19)17-13-15(21-2)14(20)12(8-18)23-16(13)22-9-11-6-4-3-5-7-11/h3-7,12-16,18,20H,8-9H2,1-2H3,(H,17,19)/t12-,13-,14-,15-,16+/m1/s1.

What is the InChIKey of the compound?

The InChIKey of the compound is CQYQHQHAWKRHIV-QCODTGAPSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CC(=O)NC1C(C(C(OC1OCC2=CC=CC=C2)CO)O)OC.

What is the XLogP3 value of the compound?

The XLogP3 value of the compound is -0.2.

How many hydrogen bond donor counts does the compound have?

The compound has 3 hydrogen bond donor counts.

How many rotatable bond counts does the compound have?

The compound has 6 rotatable bond counts.

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