chempirical

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
OOOONHOOOOH
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

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

Fmoc-ser(galnac(ac)3-alpha-D)-oh120173-57-143 % similar Methyl 2,3,4,6-tetra-O-benzyl-α-D-galactopyranoside53008-63-242 % similar Methyl 2,3,4-tri-O-benzyl-α-D-glucopyranoside53008-65-442 % similar (R)-Benzyl (5-oxotetrahydrofuran-3-yl)carbamate118399-28-341 % similar Benzyl acetate140-11-441 % similar Fmoc-thr(galnac(ac)3-alpha-D)-oh116783-35-840 % similar 1,3,4,6-Tetra-O-acetyl-β-D-mannopyranose18968-05-339 % similar Benzyl 3-oxocyclobutylcarbamate130369-36-739 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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