Phenyl 2-(Acetylamino)-2-Deoxy-Α-D-Glucopyranoside

CAS: 10139-04-5 | C14H19NO6

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CAS Registry Number: 10139-04-5

Molecular Formula: C14H19NO6

Molecular Mass: 297.31 g/mol

Phenyl 2-(Acetylamino)-2-Deoxy-Α-D-Glucopyranoside

α-D-Glucopyranoside, phenyl 2-(acetylamino)-2-deoxy-

Glucopyranoside, phenyl 2-acetamido-2-deoxy-, α-D-

Phenyl 2-(acetylamino)-2-deoxy-α-D-glucopyranoside

Phenyl 2-acetamido-2-deoxy-α-D-glucopyranoside

Phenyl N-acetyl-α-D-glucosaminide

CC(O)=N[C@H]1[C@@H](Oc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1O

InChI=1S/C14H19NO6/c1-8(17)15-11-13(19)12(18)10(7-16)21-14(11)20-9-5-3-2-4-6-9/h2-6,10-14,16,18-19H,7H2,1H3,(H,15,17)/t10-,11-,12-,13-,14+/m1/s1

NMR, IR, and Mass spectral data

1H NMR

13C NMR

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	297.31 g/mol	CAS Common Chemistry
	297.307 g/mol	RDKit
	297.121237328 g/mol	RDKit
Canonical SMILES	O=C(NC1C(OC=2C=CC=CC2)OC(CO)C(O)C1O)C	CAS Common Chemistry
InChI	InChI=1S/C14H19NO6/c1-8(17)15-11-13(19)12(18)10(7-16)21-14(11)20-9-5-3-2-4-6-9/h2-6,10-14,16,18-19H,7H2,1H3,(H,15,17)/t10-,11-,12-,13-,14+/m1/s1	CAS Common Chemistry
InChI Key	InChIKey=ZUJDLWWYFIZERS-KSTCHIGDSA-N	CAS Common Chemistry
Name	Phenyl 2-(acetylamino)-2-deoxy-α-D-glucopyranoside	CAS Common Chemistry
Heavy Atom Count	21	RDKit
Hydrogen Bond Acceptors	6	RDKit
Hydrogen Bond Donors	4	RDKit
Rotatable Bonds	4	RDKit
Aromatic Ring Count	1	RDKit
Topological Polar Surface Area	111.74000000000002 Å²	RDKit
LogP	-0.1505999999999999	RDKit
Molar Refractivity	74.35620000000003	RDKit