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

C13H24O11 — CID 10338325

IUPAC(3R,4S,5R,6S)-6-(hydroxymethyl)-5-[(R)-hydroxy-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxane-2,3,4-triol
SMILESOC[C@H]1O[C@@H]([C@H](O)[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C13H24O11/c14-1-3-5(7(17)11(21)13(22)24-3)8(18)12-10(20)9(19)6(16)4(2-15)23-12/h3-22H,1-2H2/t3-,4-,5-,6+,7+,8-,9+,10-,11-,12+,13?/m1/s1
InChIKeyQCHQXOPJDNWDLJ-HXAXDJOZSA-N
MW356.32 g/mol
LogP-5.76
Rot. Bonds4

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

(3R,4S,5R,6S)-6-(hydroxymethyl)-5-[(R)-hydroxy-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxane-2,3,4-triol (PubChem CID 10338325) has the molecular formula C13H24O11 and a molecular weight of 356.32 g/mol. Its IUPAC name is (3R,4S,5R,6S)-6-(hydroxymethyl)-5-[(R)-hydroxy-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxane-2,3,4-triol.

Molecular Properties

Compound Name(3R,4S,5R,6S)-6-(hydroxymethyl)-5-[(R)-hydroxy-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxane-2,3,4-triol
PubChem CID10338325
Molecular FormulaC13H24O11
Molecular Weight356.32 g/mol
Exact Mass356.13
IUPAC Name(3R,4S,5R,6S)-6-(hydroxymethyl)-5-[(R)-hydroxy-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxane-2,3,4-triol
SMILESOC[C@H]1O[C@@H]([C@H](O)[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C13H24O11/c14-1-3-5(7(17)11(21)13(22)24-3)8(18)12-10(20)9(19)6(16)4(2-15)23-12/h3-22H,1-2H2/t3-,4-,5-,6+,7+,8-,9+,10-,11-,12+,13?/m1/s1
InChIKeyQCHQXOPJDNWDLJ-HXAXDJOZSA-N
XLogP-5.76
TPSA200.53 Ų
H-Bond Donors9
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500356.32
LogP ≤ 5-5.76
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1011

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

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Related Compounds

(3R,4S,5R,6S)-6-(hydroxymethyl)-5-[(S)-hydroxy-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxane-2,3,4-triol
CID 10021145
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971007
(3R,4S,5S,6R)-6-((15O)oxidanylmethyl)oxane-2,3,4,5-tetrol
CID 11492034
(2S,3S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 125309563
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
CID 11344362
(2S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 156615593
(2S,3R,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol;(2R,3R,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol;(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol;(2S,3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol;(2R,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol;(2R,3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol;bis((2R,4R,5R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol);(2R,4S,5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;bis((2S,4R,5R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol);(2S,4S,5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 162125370
azane;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 70501516
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrobromide
CID 175197027
(2R,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrate
CID 174454865
(3S,4S,5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrochloride
CID 67086676

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R,6S)-6-(hydroxymethyl)-5-[(R)-hydroxy-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxane-2,3,4-triol?
The IUPAC name of (3R,4S,5R,6S)-6-(hydroxymethyl)-5-[(R)-hydroxy-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxane-2,3,4-triol (CID 10338325) is (3R,4S,5R,6S)-6-(hydroxymethyl)-5-[(R)-hydroxy-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxane-2,3,4-triol.
What is the SMILES notation for (3R,4S,5R,6S)-6-(hydroxymethyl)-5-[(R)-hydroxy-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxane-2,3,4-triol?
The canonical SMILES for (3R,4S,5R,6S)-6-(hydroxymethyl)-5-[(R)-hydroxy-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxane-2,3,4-triol is OC[C@H]1O[C@@H]([C@H](O)[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (3R,4S,5R,6S)-6-(hydroxymethyl)-5-[(R)-hydroxy-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxane-2,3,4-triol?
The InChIKey is QCHQXOPJDNWDLJ-HXAXDJOZSA-N. The full InChI is InChI=1S/C13H24O11/c14-1-3-5(7(17)11(21)13(22)24-3)8(18)12-10(20)9(19)6(16)4(2-15)23-12/h3-22H,1-2H2/t3-,4-,5-,6+,7+,8-,9+,10-,11-,12+,13?/m1/s1.
What are the key properties of (3R,4S,5R,6S)-6-(hydroxymethyl)-5-[(R)-hydroxy-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxane-2,3,4-triol?
(3R,4S,5R,6S)-6-(hydroxymethyl)-5-[(R)-hydroxy-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxane-2,3,4-triol has a molecular weight of 356.32 g/mol, XLogP of -5.76, 4 rotatable bonds, 9 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,6S)-6-(hydroxymethyl)-5-[(R)-hydroxy-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxane-2,3,4-triol is sourced from PubChem (CID 10338325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).