Benzyl 2-acetamido-3-O-allyl-6-O-benzyl-2-deoxy-a-D-glucopyranoside
PubChem CID
11102266
Structure
Molecular Formula
Synonyms
- 60920-82-3
- Benzyl 2-acetamido-3-O-allyl-6-O-benzyl-2-deoxy-a-D-glucopyranoside
- Benzyl 2-Acetamido-3-O-allyl-6-O-benzyl-2-deoxy-alpha-D-glucopyranoside
- N-[(2S,3R,4R,5S,6R)-5-hydroxy-2-phenylmethoxy-6-(phenylmethoxymethyl)-4-prop-2-enoxyoxan-3-yl]acetamide
- SCHEMBL10905974
Molecular Weight
441.5 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2006-10-26
- Modify:2025-01-18
Chemical Structure Depiction
SVG Image
IUPAC Condensed
allyl(-3)[Bn(-6)]GlcNAc(a)-O-Bn
IUPAC
benzyl 2-acetamido-3-O-allyl-6-O-benzyl-2-deoxy-alpha-D-gluco-hexopyranoside
N-[(2S,3R,4R,5S,6R)-5-hydroxy-2-phenylmethoxy-6-(phenylmethoxymethyl)-4-prop-2-enoxyoxan-3-yl]acetamide
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C25H31NO6/c1-3-14-30-24-22(26-18(2)27)25(31-16-20-12-8-5-9-13-20)32-21(23(24)28)17-29-15-19-10-6-4-7-11-19/h3-13,21-25,28H,1,14-17H2,2H3,(H,26,27)/t21-,22-,23-,24-,25+/m1/s1
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
PVXYTEIQFPXSSW-JYSSUKAJSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCC2=CC=CC=C2)COCC3=CC=CC=C3)O)OCC=C
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C25H31NO6
Computed by PubChem 2.2 (PubChem release 2024.11.20)
- 60920-82-3
- Benzyl 2-acetamido-3-O-allyl-6-O-benzyl-2-deoxy-a-D-glucopyranoside
- Benzyl 2-Acetamido-3-O-allyl-6-O-benzyl-2-deoxy-alpha-D-glucopyranoside
- N-[(2S,3R,4R,5S,6R)-5-hydroxy-2-phenylmethoxy-6-(phenylmethoxymethyl)-4-prop-2-enoxyoxan-3-yl]acetamide
- SCHEMBL10905974
- PVXYTEIQFPXSSW-JYSSUKAJSA-N
- DB-326023
- W-203275
- Benzyl 2-Acetamido-3-O-allyl-6-O-benzyl-2-deoxy-?-D-glucopyranoside
- a-D-Glucopyranoside,phenylmethyl2-(acetylamino)-2-deoxy-6-O-(phenylmethyl)-3-O-2-propen-1-yl-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
441.5 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3-AA
Property Value
2.1
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
11
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
441.21513771 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
441.21513771 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
86.3 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
32
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
561
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
5
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.05.07)
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Same Connectivity Count
Same Parent, Connectivity Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=PVXYTEIQFPXSSW-JYSSUKAJSA-N
CONTENTS