b-D-Glucopyranoside,pentyl2-(acetylamino)-2-deoxy-

CAS

94483-64-4

Catalog Number

ACM94483644

Category

Other Products

Molecular Weight

291.3407

Molecular Formula

C₁₃H₂₅NO₆

MSDS COA Spec Sheet

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Specification

Synonyms

94483-64-4, AC1MQP6Q, SureCN14010316, Amyl-2-acetamido-2-deoxy-b-D-glucopyranoside, A844969, S07-0029, pentyl 2-(acetylamino)-2-deoxy-beta-L-glucopyranoside, N-[4,5-dihydroxy-6-(hydroxymethyl)-2-pentoxy-3-oxanyl]acetamide, N-[4,5-dihydroxy-6-(hydroxymethyl)-2-pentoxyoxan-3-yl]acetamide, N-[6-(hydroxymethyl)-4,5-bis(oxidanyl)-2-pentoxy-oxan-3-yl]ethanamide

IUPAC Name

N-[4,5-dihydroxy-6-(hydroxymethyl)-2-pentoxyoxan-3-yl]acetamide

Canonical SMILES

CCCCCOC1C(C(C(C(O1)CO)O)O)NC(=O)C

InChI Key

TXAKGSVWAUXDOK-UHFFFAOYSA-N

Exact Mass

291.16800

H-Bond Acceptor

H-Bond Donor

What is the IUPAC name of the compound?

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

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C13H25NO6/c1-3-4-5-6-19-13-10(14-8(2)16)12(18)11(17)9(7-15)20-13/h9-13,15,17-18H,3-7H2,1-2H3,(H,14,16)/t9-,10-,11-,12-,13-/m1/s1.

What is the InChIKey of the compound?

The InChIKey of the compound is TXAKGSVWAUXDOK-SYLRKERUSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CCCCCOC1C(C(C(C(O1)CO)O)O)NC(=O)C.

What is the isomeric SMILES of the compound?

The isomeric SMILES of the compound is CCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C.

What is the molecular weight of the compound?

The molecular weight of the compound is 291.34 g/mol.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is -0.3.

How many hydrogen bond donor counts does the compound have?

The compound has 4 hydrogen bond donor counts.