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

C12H22O10 — CID 57109141

IUPAC(2S,3S,4S,5S,6R)-3-[(3S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESOC[C@H]1O[C@H](O)[C@@](O)([C@@]2(O)CO[C@H](CO)[C@@H](O)C2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H22O10/c13-2-6-5(15)1-11(19,4-21-6)12(20)9(17)8(16)7(3-14)22-10(12)18/h5-10,13-20H,1-4H2/t5-,6+,7+,8+,9-,10-,11-,12+/m0/s1
InChIKeyMRANNMJZOWHWRZ-OPYYZBHZSA-N
MW326.30 g/mol
LogP-4.98
Rot. Bonds3

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

(2S,3S,4S,5S,6R)-3-[(3S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol (PubChem CID 57109141) has the molecular formula C12H22O10 and a molecular weight of 326.30 g/mol. Its IUPAC name is (2S,3S,4S,5S,6R)-3-[(3S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3S,4S,5S,6R)-3-[(3S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
PubChem CID57109141
Molecular FormulaC12H22O10
Molecular Weight326.30 g/mol
Exact Mass326.12
IUPAC Name(2S,3S,4S,5S,6R)-3-[(3S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESOC[C@H]1O[C@H](O)[C@@](O)([C@@]2(O)CO[C@H](CO)[C@@H](O)C2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H22O10/c13-2-6-5(15)1-11(19,4-21-6)12(20)9(17)8(16)7(3-14)22-10(12)18/h5-10,13-20H,1-4H2/t5-,6+,7+,8+,9-,10-,11-,12+/m0/s1
InChIKeyMRANNMJZOWHWRZ-OPYYZBHZSA-N
XLogP-4.98
TPSA180.30 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.30
LogP ≤ 5-4.98
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

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

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Related Compounds

(2S,3S,4S,5S,6R)-3-[(3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-3-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 57269400
(2S,3S,4S,5S,6R)-6-(aminomethyl)-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxane-2,3,4,5-tetrol
CID 57018621
(2S,3S,4S,5S,6S)-6-[chloro(hydroxy)methyl]-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxane-2,3,4,5-tetrol
CID 57010952
6-(hydroxymethyl)oxane-2,3,3,4,5-pentol
CID 22286958
(2S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,3,4,5-pentol
CID 101196422
(4R,5S)-6-(hydroxymethyl)oxane-3,3,4,5-tetrol
CID 59927511
(2R,3R,4S,5S,6R)-3-fluoro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 118961526
(2R,3R,4S,5R)-2-(hydroxymethyl)-5-iodooxane-3,4,5-triol
CID 91589098
(2R,3S,4S,5S)-2-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol
CID 175303610
3,3-difluoro-6-(hydroxymethyl)oxane-2,4,5-triol
CID 58092357
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3-phenyloxane-2,3,4,5-tetrol
CID 57135995
(2R,3R,4R,5R)-2-(hydroxymethyl)-4,5-bis[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol
CID 57076968

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5S,6R)-3-[(3S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (2S,3S,4S,5S,6R)-3-[(3S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol (CID 57109141) is (2S,3S,4S,5S,6R)-3-[(3S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3S,4S,5S,6R)-3-[(3S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3S,4S,5S,6R)-3-[(3S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol is OC[C@H]1O[C@H](O)[C@@](O)([C@@]2(O)CO[C@H](CO)[C@@H](O)C2)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4S,5S,6R)-3-[(3S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The InChIKey is MRANNMJZOWHWRZ-OPYYZBHZSA-N. The full InChI is InChI=1S/C12H22O10/c13-2-6-5(15)1-11(19,4-21-6)12(20)9(17)8(16)7(3-14)22-10(12)18/h5-10,13-20H,1-4H2/t5-,6+,7+,8+,9-,10-,11-,12+/m0/s1.
What are the key properties of (2S,3S,4S,5S,6R)-3-[(3S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
(2S,3S,4S,5S,6R)-3-[(3S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol has a molecular weight of 326.30 g/mol, XLogP of -4.98, 3 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5S,6R)-3-[(3S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 57109141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).