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

C13H24O9 — CID 132577321

IUPAC(2R,3S,4R,5S,6R)-2-[[(2R,3S,4R,6S)-3,6-dihydroxy-2-(hydroxymethyl)oxan-4-yl]methyl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](O)C[C@@H](C[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O
InChIInChI=1S/C13H24O9/c14-3-7-10(17)5(2-9(16)22-7)1-6-11(18)13(20)12(19)8(4-15)21-6/h5-20H,1-4H2/t5-,6-,7-,8-,9+,10+,11-,12-,13-/m1/s1
InChIKeyQRSCPSVOKWZDEJ-HQPQVBNRSA-N
MW324.33 g/mol
LogP-3.70
Rot. Bonds4

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

(2R,3S,4R,5S,6R)-2-[[(2R,3S,4R,6S)-3,6-dihydroxy-2-(hydroxymethyl)oxan-4-yl]methyl]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 132577321) has the molecular formula C13H24O9 and a molecular weight of 324.33 g/mol. Its IUPAC name is (2R,3S,4R,5S,6R)-2-[[(2R,3S,4R,6S)-3,6-dihydroxy-2-(hydroxymethyl)oxan-4-yl]methyl]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4R,5S,6R)-2-[[(2R,3S,4R,6S)-3,6-dihydroxy-2-(hydroxymethyl)oxan-4-yl]methyl]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID132577321
Molecular FormulaC13H24O9
Molecular Weight324.33 g/mol
Exact Mass324.14
IUPAC Name(2R,3S,4R,5S,6R)-2-[[(2R,3S,4R,6S)-3,6-dihydroxy-2-(hydroxymethyl)oxan-4-yl]methyl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](O)C[C@@H](C[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O
InChIInChI=1S/C13H24O9/c14-3-7-10(17)5(2-9(16)22-7)1-6-11(18)13(20)12(19)8(4-15)21-6/h5-20H,1-4H2/t5-,6-,7-,8-,9+,10+,11-,12-,13-/m1/s1
InChIKeyQRSCPSVOKWZDEJ-HQPQVBNRSA-N
XLogP-3.70
TPSA160.07 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.33
LogP ≤ 5-3.70
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

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

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Related Compounds

2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
(5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 70641511
(2R,4R,5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 7057906
(2R,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 148934060
azane;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 70501516
ethane;(2S,5S)-6-(hydroxymethyl)-4-methyloxane-2,5-diol
CID 156740552
(2S,4S,5S)-5-(hydroxymethyl)oxolane-2,4-diol
CID 91205052
(2S,4R,5S)-6-(hydroxymethyl)-5-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxane-2,3,4-triol
CID 155627540

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S,6R)-2-[[(2R,3S,4R,6S)-3,6-dihydroxy-2-(hydroxymethyl)oxan-4-yl]methyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4R,5S,6R)-2-[[(2R,3S,4R,6S)-3,6-dihydroxy-2-(hydroxymethyl)oxan-4-yl]methyl]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 132577321) is (2R,3S,4R,5S,6R)-2-[[(2R,3S,4R,6S)-3,6-dihydroxy-2-(hydroxymethyl)oxan-4-yl]methyl]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4R,5S,6R)-2-[[(2R,3S,4R,6S)-3,6-dihydroxy-2-(hydroxymethyl)oxan-4-yl]methyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4R,5S,6R)-2-[[(2R,3S,4R,6S)-3,6-dihydroxy-2-(hydroxymethyl)oxan-4-yl]methyl]-6-(hydroxymethyl)oxane-3,4,5-triol is OC[C@H]1O[C@H](O)C[C@@H](C[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5S,6R)-2-[[(2R,3S,4R,6S)-3,6-dihydroxy-2-(hydroxymethyl)oxan-4-yl]methyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is QRSCPSVOKWZDEJ-HQPQVBNRSA-N. The full InChI is InChI=1S/C13H24O9/c14-3-7-10(17)5(2-9(16)22-7)1-6-11(18)13(20)12(19)8(4-15)21-6/h5-20H,1-4H2/t5-,6-,7-,8-,9+,10+,11-,12-,13-/m1/s1.
What are the key properties of (2R,3S,4R,5S,6R)-2-[[(2R,3S,4R,6S)-3,6-dihydroxy-2-(hydroxymethyl)oxan-4-yl]methyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3S,4R,5S,6R)-2-[[(2R,3S,4R,6S)-3,6-dihydroxy-2-(hydroxymethyl)oxan-4-yl]methyl]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 324.33 g/mol, XLogP of -3.70, 4 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S,6R)-2-[[(2R,3S,4R,6S)-3,6-dihydroxy-2-(hydroxymethyl)oxan-4-yl]methyl]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 132577321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).