A-D-Glucopyranoside, methyl 2-deoxy-2-[[(phenylmethoxy)carbonyl]amino]-3-O-(phenylmethyl)-, 6-acetate

C24H29NO8CAS 114869-95-3459.50 g/mol

Open in Covalent MOL file
OOOONHOOOHO
AcetalAlcoholCarbamateEsterEther

Properties

Molecular formula
C24H29NO8
Molar mass
459.50 g/mol
Exact mass
459.1893 Da
logP
2.16Crippen estimate
Polar surface area
112.6 Ų
H-bond donors / acceptors
2 / 8
Rotatable bonds
9

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
114869-95-3
SMILES
CC(=O)OCC1C(C(C(C(O1)OC)NC(=O)OCC2=CC=CC=C2)OCC3=CC=CC=C3)O
InChIKey
VOTXJTGQZBSOKH-UHFFFAOYSA-N
InChI
InChI=1S/C24H29NO8/c1-16(26)30-15-19-21(27)22(31-13-17-9-5-3-6-10-17)20(23(29-2)33-19)25-24(28)32-14-18-11-7-4-8-12-18/h3-12,19-23,27H,13-15H2,1-2H3,(H,25,28)

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Work with A-D-Glucopyranoside, methyl 2-deoxy-2-[[(phenylmethoxy)carbonyl]amino]-3-O-(phenylmethyl)-, 6-acetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,2,4,6-Tetra-O-acetyl-3-O-benzyl-beta-D-glucopyranose39686-94-753 % similar 1-O-Acetyl-2,3,5-tri-O-benzyl-D-ribofuranose58381-23-045 % similar Z-Thr(bzl)-oh69863-36-143 % similar Fmoc-ser(galnac(ac)3-alpha-D)-oh120173-57-143 % similar 2-(((Benzyloxy)carbonyl)amino)-2-hydroxyacetic acid56538-57-943 % similar (2S,3R)-Methyl 2-(((benzyloxy)carbonyl)amino)-3-hydroxybutanoate57224-63-243 % similar N-Cbz-D-alanine26607-51-242 % similar Methyl 2,3,4,6-tetra-O-benzyl-α-D-galactopyranoside53008-63-242 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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