(2S,3R,4S,5S,6R)-6-[[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]thiane-2,3,4,5-tetrol

C12H22O10S — CID 90664132

IUPAC(2S,3R,4S,5S,6R)-6-[[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]thiane-2,3,4,5-tetrol
SMILESOC[C@@H]1O[C@H](OC[C@H]2S[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H22O10S/c13-1-3-5(14)7(16)10(19)12(22-3)21-2-4-6(15)8(17)9(18)11(20)23-4/h3-20H,1-2H2/t3-,4+,5+,6+,7-,8-,9+,10-,11-,12-/m0/s1
InChIKeyKBGLMWXBLFLMEL-VXVDZVSRSA-N
MW358.37 g/mol
LogP-4.68
Rot. Bonds4

About (2S,3R,4S,5S,6R)-6-[[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]thiane-2,3,4,5-tetrol

(2S,3R,4S,5S,6R)-6-[[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]thiane-2,3,4,5-tetrol (PubChem CID 90664132) has the molecular formula C12H22O10S and a molecular weight of 358.37 g/mol. Its IUPAC name is (2S,3R,4S,5S,6R)-6-[[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]thiane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3R,4S,5S,6R)-6-[[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]thiane-2,3,4,5-tetrol
PubChem CID90664132
Molecular FormulaC12H22O10S
Molecular Weight358.37 g/mol
Exact Mass358.09
IUPAC Name(2S,3R,4S,5S,6R)-6-[[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]thiane-2,3,4,5-tetrol
SMILESOC[C@@H]1O[C@H](OC[C@H]2S[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H22O10S/c13-1-3-5(14)7(16)10(19)12(22-3)21-2-4-6(15)8(17)9(18)11(20)23-4/h3-20H,1-2H2/t3-,4+,5+,6+,7-,8-,9+,10-,11-,12-/m0/s1
InChIKeyKBGLMWXBLFLMEL-VXVDZVSRSA-N
XLogP-4.68
TPSA180.30 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500358.37
LogP ≤ 5-4.68
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1011

Analyze (2S,3R,4S,5S,6R)-6-[[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]thiane-2,3,4,5-tetrol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S,6R)-6-[[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]thiane-2,3,4,5-tetrol?
The IUPAC name of (2S,3R,4S,5S,6R)-6-[[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]thiane-2,3,4,5-tetrol (CID 90664132) is (2S,3R,4S,5S,6R)-6-[[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]thiane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3R,4S,5S,6R)-6-[[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]thiane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3R,4S,5S,6R)-6-[[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]thiane-2,3,4,5-tetrol is OC[C@@H]1O[C@H](OC[C@H]2S[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3R,4S,5S,6R)-6-[[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]thiane-2,3,4,5-tetrol?
The InChIKey is KBGLMWXBLFLMEL-VXVDZVSRSA-N. The full InChI is InChI=1S/C12H22O10S/c13-1-3-5(14)7(16)10(19)12(22-3)21-2-4-6(15)8(17)9(18)11(20)23-4/h3-20H,1-2H2/t3-,4+,5+,6+,7-,8-,9+,10-,11-,12-/m0/s1.
What are the key properties of (2S,3R,4S,5S,6R)-6-[[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]thiane-2,3,4,5-tetrol?
(2S,3R,4S,5S,6R)-6-[[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]thiane-2,3,4,5-tetrol has a molecular weight of 358.37 g/mol, XLogP of -4.68, 4 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S,6R)-6-[[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]thiane-2,3,4,5-tetrol is sourced from PubChem (CID 90664132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).