(2S,3S,4R,5S)-6-amino-6-benzyl-2-(hydroxymethyl)oxane-2,3,4,5-tetrol

C13H19NO6 — CID 141389802

IUPAC(2S,3S,4R,5S)-6-amino-6-benzyl-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESNC1(Cc2ccccc2)O[C@@](O)(CO)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C13H19NO6/c14-12(6-8-4-2-1-3-5-8)10(17)9(16)11(18)13(19,7-15)20-12/h1-5,9-11,15-19H,6-7,14H2/t9-,10+,11+,12?,13+/m1/s1
InChIKeyWDNVHNSWUZGCFD-GRZVIAIVSA-N
MW285.30 g/mol
LogP-2.32
Rot. Bonds3

About (2S,3S,4R,5S)-6-amino-6-benzyl-2-(hydroxymethyl)oxane-2,3,4,5-tetrol

(2S,3S,4R,5S)-6-amino-6-benzyl-2-(hydroxymethyl)oxane-2,3,4,5-tetrol (PubChem CID 141389802) has the molecular formula C13H19NO6 and a molecular weight of 285.30 g/mol. Its IUPAC name is (2S,3S,4R,5S)-6-amino-6-benzyl-2-(hydroxymethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3S,4R,5S)-6-amino-6-benzyl-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
PubChem CID141389802
Molecular FormulaC13H19NO6
Molecular Weight285.30 g/mol
Exact Mass285.12
IUPAC Name(2S,3S,4R,5S)-6-amino-6-benzyl-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESNC1(Cc2ccccc2)O[C@@](O)(CO)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C13H19NO6/c14-12(6-8-4-2-1-3-5-8)10(17)9(16)11(18)13(19,7-15)20-12/h1-5,9-11,15-19H,6-7,14H2/t9-,10+,11+,12?,13+/m1/s1
InChIKeyWDNVHNSWUZGCFD-GRZVIAIVSA-N
XLogP-2.32
TPSA136.40 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.30
LogP ≤ 5-2.32
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze (2S,3S,4R,5S)-6-amino-6-benzyl-2-(hydroxymethyl)oxane-2,3,4,5-tetrol with MolForge

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Related Compounds

(3S,4R,5S)-2-benzyl-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 142629851
(2S,3R,4R,5S,6R)-3-amino-2-benzyl-6-(hydroxymethyl)oxane-2,4,5-triol
CID 140974185
bis((2R,3S,5R,6S)-1-benzylcyclohexane-1,2,3,4,5,6-hexol);dihydrate
CID 139077583
(2S,3R,4R,5S,6R)-5-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 57206104
1-benzyl-3-methyl-2,4-dioxabicyclo[1.1.0]butane
CID 141419517
2-benzyl-3-ethyloxiran-2-ol
CID 141291266
3-benzyl-3-methyloxiran-2-amine
CID 130712281
(3R,4S,5S,6R)-4-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 163366047
(1S,2R,4R,5R)-1,2,3,4,5-pentabenzylcyclohexane-1,2,3,4,5,6-hexol
CID 67924333
(1R,2R,3R,4R,5R)-2-benzyl-3-chloro-6,8-dioxabicyclo[3.2.1]octane-2,4-diol
CID 57024548
(4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 22814148
[(2R)-2-benzyloxiran-2-yl]methanol
CID 15072879

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5S)-6-amino-6-benzyl-2-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (2S,3S,4R,5S)-6-amino-6-benzyl-2-(hydroxymethyl)oxane-2,3,4,5-tetrol (CID 141389802) is (2S,3S,4R,5S)-6-amino-6-benzyl-2-(hydroxymethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3S,4R,5S)-6-amino-6-benzyl-2-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3S,4R,5S)-6-amino-6-benzyl-2-(hydroxymethyl)oxane-2,3,4,5-tetrol is NC1(Cc2ccccc2)O[C@@](O)(CO)[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4R,5S)-6-amino-6-benzyl-2-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The InChIKey is WDNVHNSWUZGCFD-GRZVIAIVSA-N. The full InChI is InChI=1S/C13H19NO6/c14-12(6-8-4-2-1-3-5-8)10(17)9(16)11(18)13(19,7-15)20-12/h1-5,9-11,15-19H,6-7,14H2/t9-,10+,11+,12?,13+/m1/s1.
What are the key properties of (2S,3S,4R,5S)-6-amino-6-benzyl-2-(hydroxymethyl)oxane-2,3,4,5-tetrol?
(2S,3S,4R,5S)-6-amino-6-benzyl-2-(hydroxymethyl)oxane-2,3,4,5-tetrol has a molecular weight of 285.30 g/mol, XLogP of -2.32, 3 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5S)-6-amino-6-benzyl-2-(hydroxymethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 141389802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).