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

C12H17NO4S — CID 134895010

IUPAC(2R,3S,4S,5S)-4-amino-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,5-diol
SMILESN[C@H]1[C@H](O)[C@@H](CO)OC(Sc2ccccc2)[C@H]1O
InChIInChI=1S/C12H17NO4S/c13-9-10(15)8(6-14)17-12(11(9)16)18-7-4-2-1-3-5-7/h1-5,8-12,14-16H,6,13H2/t8-,9+,10-,11+,12?/m1/s1
InChIKeyAYFBJIHEZIJIPJ-OGZKGVCFSA-N
MW271.34 g/mol
LogP-0.46
Rot. Bonds3

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

(2R,3S,4S,5S)-4-amino-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,5-diol (PubChem CID 134895010) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is (2R,3S,4S,5S)-4-amino-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,5-diol.

Molecular Properties

Compound Name(2R,3S,4S,5S)-4-amino-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,5-diol
PubChem CID134895010
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name(2R,3S,4S,5S)-4-amino-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,5-diol
SMILESN[C@H]1[C@H](O)[C@@H](CO)OC(Sc2ccccc2)[C@H]1O
InChIInChI=1S/C12H17NO4S/c13-9-10(15)8(6-14)17-12(11(9)16)18-7-4-2-1-3-5-7/h1-5,8-12,14-16H,6,13H2/t8-,9+,10-,11+,12?/m1/s1
InChIKeyAYFBJIHEZIJIPJ-OGZKGVCFSA-N
XLogP-0.46
TPSA95.94 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 5-0.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S)-4-amino-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,5-diol?
The IUPAC name of (2R,3S,4S,5S)-4-amino-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,5-diol (CID 134895010) is (2R,3S,4S,5S)-4-amino-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,5-diol.
What is the SMILES notation for (2R,3S,4S,5S)-4-amino-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,5-diol?
The canonical SMILES for (2R,3S,4S,5S)-4-amino-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,5-diol is N[C@H]1[C@H](O)[C@@H](CO)OC(Sc2ccccc2)[C@H]1O.
What is the InChIKey of (2R,3S,4S,5S)-4-amino-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,5-diol?
The InChIKey is AYFBJIHEZIJIPJ-OGZKGVCFSA-N. The full InChI is InChI=1S/C12H17NO4S/c13-9-10(15)8(6-14)17-12(11(9)16)18-7-4-2-1-3-5-7/h1-5,8-12,14-16H,6,13H2/t8-,9+,10-,11+,12?/m1/s1.
What are the key properties of (2R,3S,4S,5S)-4-amino-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,5-diol?
(2R,3S,4S,5S)-4-amino-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,5-diol has a molecular weight of 271.34 g/mol, XLogP of -0.46, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S)-4-amino-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,5-diol is sourced from PubChem (CID 134895010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).