(2R,3S,4R,5R)-5-amino-2-(hydroxymethyl)-6-sulfanyloxane-3,4-diol

C6H13NO4S — CID 130967285

IUPAC(2R,3S,4R,5R)-5-amino-2-(hydroxymethyl)-6-sulfanyloxane-3,4-diol
SMILESN[C@H]1C(S)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO4S/c7-3-5(10)4(9)2(1-8)11-6(3)12/h2-6,8-10,12H,1,7H2/t2-,3-,4-,5-,6?/m1/s1
InChIKeyWTUCFWNQWAFNMH-IVMDWMLBSA-N
MW195.24 g/mol
LogP-2.32
Rot. Bonds1

About (2R,3S,4R,5R)-5-amino-2-(hydroxymethyl)-6-sulfanyloxane-3,4-diol

(2R,3S,4R,5R)-5-amino-2-(hydroxymethyl)-6-sulfanyloxane-3,4-diol (PubChem CID 130967285) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is (2R,3S,4R,5R)-5-amino-2-(hydroxymethyl)-6-sulfanyloxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-5-amino-2-(hydroxymethyl)-6-sulfanyloxane-3,4-diol
PubChem CID130967285
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC Name(2R,3S,4R,5R)-5-amino-2-(hydroxymethyl)-6-sulfanyloxane-3,4-diol
SMILESN[C@H]1C(S)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO4S/c7-3-5(10)4(9)2(1-8)11-6(3)12/h2-6,8-10,12H,1,7H2/t2-,3-,4-,5-,6?/m1/s1
InChIKeyWTUCFWNQWAFNMH-IVMDWMLBSA-N
XLogP-2.32
TPSA95.94 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-2.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4S,5R,6S)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 7568496
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;(3S,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 162091299
(4R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 58456000
(5S)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 67457513
(2S,3R,4S,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 6551011
(2R,3S,4S,5S)-2-(hydroxymethyl)-6-sulfanyloxane-3,4,5-triol
CID 23397976
(2S,3S,4R,5S)-2-(hydroxymethyl)-6-sulfanyloxane-3,4,5-triol
CID 87274614
(2R,3S,4R,5R,6S)-5-amino-6-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;(2R,3R,4S,5R)-2-(hydroxymethyl)-6-sulfanyloxane-3,4,5-triol
CID 118356528
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;sulfane
CID 174539806
actinium;(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 58582833
(2S,3R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;hydrochloride
CID 159661735
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;hydrofluoride
CID 139962183

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-5-amino-2-(hydroxymethyl)-6-sulfanyloxane-3,4-diol?
The IUPAC name of (2R,3S,4R,5R)-5-amino-2-(hydroxymethyl)-6-sulfanyloxane-3,4-diol (CID 130967285) is (2R,3S,4R,5R)-5-amino-2-(hydroxymethyl)-6-sulfanyloxane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5R)-5-amino-2-(hydroxymethyl)-6-sulfanyloxane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5R)-5-amino-2-(hydroxymethyl)-6-sulfanyloxane-3,4-diol is N[C@H]1C(S)O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5R)-5-amino-2-(hydroxymethyl)-6-sulfanyloxane-3,4-diol?
The InChIKey is WTUCFWNQWAFNMH-IVMDWMLBSA-N. The full InChI is InChI=1S/C6H13NO4S/c7-3-5(10)4(9)2(1-8)11-6(3)12/h2-6,8-10,12H,1,7H2/t2-,3-,4-,5-,6?/m1/s1.
What are the key properties of (2R,3S,4R,5R)-5-amino-2-(hydroxymethyl)-6-sulfanyloxane-3,4-diol?
(2R,3S,4R,5R)-5-amino-2-(hydroxymethyl)-6-sulfanyloxane-3,4-diol has a molecular weight of 195.24 g/mol, XLogP of -2.32, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-5-amino-2-(hydroxymethyl)-6-sulfanyloxane-3,4-diol is sourced from PubChem (CID 130967285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).