[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl sulfamate

C6H13NO8S — CID 53322463

IUPAC[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl sulfamate
SMILESNS(=O)(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO8S/c7-16(12,13)14-1-2-3(8)4(9)5(10)6(11)15-2/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3-,4+,5-,6?/m1/s1
InChIKeyPHTDYYFDBIUKPL-GASJEMHNSA-N
MW259.24 g/mol
LogP-3.99
Rot. Bonds3

About [(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl sulfamate

[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl sulfamate (PubChem CID 53322463) has the molecular formula C6H13NO8S and a molecular weight of 259.24 g/mol. Its IUPAC name is [(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl sulfamate.

Molecular Properties

Compound Name[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl sulfamate
PubChem CID53322463
Molecular FormulaC6H13NO8S
Molecular Weight259.24 g/mol
Exact Mass259.04
IUPAC Name[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl sulfamate
SMILESNS(=O)(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO8S/c7-16(12,13)14-1-2-3(8)4(9)5(10)6(11)15-2/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3-,4+,5-,6?/m1/s1
InChIKeyPHTDYYFDBIUKPL-GASJEMHNSA-N
XLogP-3.99
TPSA159.54 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 5-3.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze [(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl sulfamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hydrogen sulfate
CID 71434014
(3,4,5-trihydroxyoxolan-2-yl)methyl hydrogen sulfate
CID 123459126
(2S,3S,4S,5S,6R)-6-(aminooxymethyl)oxane-2,3,4,5-tetrol
CID 156617029
[(2R,3S,4R,5R)-5-amino-3,4,6-trihydroxyoxan-2-yl]methyl sulfate
CID 90659837
(2S,3S,4S,5S,6R)-6-(methoxymethyl)oxane-2,3,4,5-tetrol
CID 26176683
[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxyphosphonamidic acid
CID 167491505
methyl [(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl carbonate
CID 10331746
methyl [(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl carbonate
CID 10399290
(3,4,5-trihydroxyoxolan-2-yl)methyl 4-methylbenzenesulfonate
CID 23207115
[(2S,3S,4S,5S,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanesulfonic acid
CID 162640044
4-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]butane-1-sulfonic acid
CID 155641941
[(3R,4R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hydrogen sulfite
CID 174083205

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl sulfamate?
The IUPAC name of [(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl sulfamate (CID 53322463) is [(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl sulfamate.
What is the SMILES notation for [(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl sulfamate?
The canonical SMILES for [(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl sulfamate is NS(=O)(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of [(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl sulfamate?
The InChIKey is PHTDYYFDBIUKPL-GASJEMHNSA-N. The full InChI is InChI=1S/C6H13NO8S/c7-16(12,13)14-1-2-3(8)4(9)5(10)6(11)15-2/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3-,4+,5-,6?/m1/s1.
What are the key properties of [(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl sulfamate?
[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl sulfamate has a molecular weight of 259.24 g/mol, XLogP of -3.99, 3 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl sulfamate is sourced from PubChem (CID 53322463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).