(2S,3R,4S,5S,6S)-6-[[(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-hydroxymethyl]oxane-2,3,4,5-tetrol

C11H20O10 — CID 90951205

IUPAC(2S,3R,4S,5S,6S)-6-[[(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-hydroxymethyl]oxane-2,3,4,5-tetrol
SMILESOC[C@H]1OC[C@@](O)(C(O)[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O
InChIInChI=1S/C11H20O10/c12-1-3-8(16)11(19,2-20-3)9(17)7-5(14)4(13)6(15)10(18)21-7/h3-10,12-19H,1-2H2/t3-,4+,5+,6-,7+,8-,9?,10+,11+/m1/s1
InChIKeyZSORFGISISJYHK-QHMXUWCFSA-N
MW312.27 g/mol
LogP-5.37
Rot. Bonds3

About (2S,3R,4S,5S,6S)-6-[[(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-hydroxymethyl]oxane-2,3,4,5-tetrol

(2S,3R,4S,5S,6S)-6-[[(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-hydroxymethyl]oxane-2,3,4,5-tetrol (PubChem CID 90951205) has the molecular formula C11H20O10 and a molecular weight of 312.27 g/mol. Its IUPAC name is (2S,3R,4S,5S,6S)-6-[[(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-hydroxymethyl]oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3R,4S,5S,6S)-6-[[(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-hydroxymethyl]oxane-2,3,4,5-tetrol
PubChem CID90951205
Molecular FormulaC11H20O10
Molecular Weight312.27 g/mol
Exact Mass312.11
IUPAC Name(2S,3R,4S,5S,6S)-6-[[(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-hydroxymethyl]oxane-2,3,4,5-tetrol
SMILESOC[C@H]1OC[C@@](O)(C(O)[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O
InChIInChI=1S/C11H20O10/c12-1-3-8(16)11(19,2-20-3)9(17)7-5(14)4(13)6(15)10(18)21-7/h3-10,12-19H,1-2H2/t3-,4+,5+,6-,7+,8-,9?,10+,11+/m1/s1
InChIKeyZSORFGISISJYHK-QHMXUWCFSA-N
XLogP-5.37
TPSA180.30 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.27
LogP ≤ 5-5.37
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Analyze (2S,3R,4S,5S,6S)-6-[[(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-hydroxymethyl]oxane-2,3,4,5-tetrol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S,6S)-6-[[(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-hydroxymethyl]oxane-2,3,4,5-tetrol?
The IUPAC name of (2S,3R,4S,5S,6S)-6-[[(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-hydroxymethyl]oxane-2,3,4,5-tetrol (CID 90951205) is (2S,3R,4S,5S,6S)-6-[[(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-hydroxymethyl]oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3R,4S,5S,6S)-6-[[(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-hydroxymethyl]oxane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3R,4S,5S,6S)-6-[[(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-hydroxymethyl]oxane-2,3,4,5-tetrol is OC[C@H]1OC[C@@](O)(C(O)[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O.
What is the InChIKey of (2S,3R,4S,5S,6S)-6-[[(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-hydroxymethyl]oxane-2,3,4,5-tetrol?
The InChIKey is ZSORFGISISJYHK-QHMXUWCFSA-N. The full InChI is InChI=1S/C11H20O10/c12-1-3-8(16)11(19,2-20-3)9(17)7-5(14)4(13)6(15)10(18)21-7/h3-10,12-19H,1-2H2/t3-,4+,5+,6-,7+,8-,9?,10+,11+/m1/s1.
What are the key properties of (2S,3R,4S,5S,6S)-6-[[(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-hydroxymethyl]oxane-2,3,4,5-tetrol?
(2S,3R,4S,5S,6S)-6-[[(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-hydroxymethyl]oxane-2,3,4,5-tetrol has a molecular weight of 312.27 g/mol, XLogP of -5.37, 3 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S,6S)-6-[[(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-hydroxymethyl]oxane-2,3,4,5-tetrol is sourced from PubChem (CID 90951205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).