(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;cyclohexane-1,2,3,4,5,6-hexol

C12H24O12 — CID 67600990

IUPAC(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;cyclohexane-1,2,3,4,5,6-hexol
SMILESOC1C(O)C(O)C(O)C(O)C1O.OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/2C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3;7-1-2(8)4(10)6(12)5(11)3(1)9/h3-5,7-11H,1-2H2;1-12H/t3-,4-,5+,6-;/m1./s1
InChIKeyWXMQPXGDFVELRF-PVCLPBLSSA-N
MW360.31 g/mol
LogP-7.05
Rot. Bonds2

About (2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;cyclohexane-1,2,3,4,5,6-hexol

(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;cyclohexane-1,2,3,4,5,6-hexol (PubChem CID 67600990) has the molecular formula C12H24O12 and a molecular weight of 360.31 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;cyclohexane-1,2,3,4,5,6-hexol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;cyclohexane-1,2,3,4,5,6-hexol
PubChem CID67600990
Molecular FormulaC12H24O12
Molecular Weight360.31 g/mol
Exact Mass360.13
IUPAC Name(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;cyclohexane-1,2,3,4,5,6-hexol
SMILESOC1C(O)C(O)C(O)C(O)C1O.OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/2C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3;7-1-2(8)4(10)6(12)5(11)3(1)9/h3-5,7-11H,1-2H2;1-12H/t3-,4-,5+,6-;/m1./s1
InChIKeyWXMQPXGDFVELRF-PVCLPBLSSA-N
XLogP-7.05
TPSA231.76 Ų
H-Bond Donors11
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500360.31
LogP ≤ 5-7.05
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1012

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Related Compounds

(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;(3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 174522323
(4R,5S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 46782101
(2S,3S,4S,5S,6S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 71720259
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol
CID 70436487
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 70152733
(2S,3S,4S,5S)-5-(chloromethyl)-2-(hydroxymethyl)oxolane-2,3,4-triol
CID 131187722
(3S,4S,5S)-5-(azidomethyl)-2-(hydroxymethyl)oxolane-2,3,4-triol
CID 14183822
(2R,3S,4R,5S)-5-(azidomethyl)-2-(hydroxymethyl)oxolane-2,3,4-triol
CID 161396691
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-(methoxymethyl)oxolane-2,3,4-triol
CID 131086029
(3S,4R,5S)-2-benzyl-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 142629851
(3S,4S,5S)-5-[(2-hydroxyethylamino)methyl]-2-(hydroxymethyl)oxolane-2,3,4-triol
CID 170042168
(2R,3S,4S,4aR,6S,7R,8R,8aS)-2,6-bis(hydroxymethyl)-2,3,4,6,7,8-hexahydropyrano[3,2-b]pyran-3,4,4a,7,8,8a-hexol
CID 11529514

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;cyclohexane-1,2,3,4,5,6-hexol?
The IUPAC name of (2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;cyclohexane-1,2,3,4,5,6-hexol (CID 67600990) is (2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;cyclohexane-1,2,3,4,5,6-hexol.
What is the SMILES notation for (2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;cyclohexane-1,2,3,4,5,6-hexol?
The canonical SMILES for (2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;cyclohexane-1,2,3,4,5,6-hexol is OC1C(O)C(O)C(O)C(O)C1O.OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;cyclohexane-1,2,3,4,5,6-hexol?
The InChIKey is WXMQPXGDFVELRF-PVCLPBLSSA-N. The full InChI is InChI=1S/2C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3;7-1-2(8)4(10)6(12)5(11)3(1)9/h3-5,7-11H,1-2H2;1-12H/t3-,4-,5+,6-;/m1./s1.
What are the key properties of (2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;cyclohexane-1,2,3,4,5,6-hexol?
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;cyclohexane-1,2,3,4,5,6-hexol has a molecular weight of 360.31 g/mol, XLogP of -7.05, 2 rotatable bonds, 11 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;cyclohexane-1,2,3,4,5,6-hexol is sourced from PubChem (CID 67600990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).