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

C12H22O10 — CID 57006905

IUPAC(2R,3S,4S,5S)-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](O)[C@@H]([C@]2(O)[C@@H](O)CO[C@H](CO)[C@@H]2O)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H22O10/c13-1-4-8(16)9(17)7(11(19)22-4)12(20)6(15)3-21-5(2-14)10(12)18/h4-11,13-20H,1-3H2/t4-,5-,6+,7+,8+,9-,10+,11+,12-/m1/s1
InChIKeyAOVAZYPRHBQYRJ-USVQFWJSSA-N
MW326.30 g/mol
LogP-5.12
Rot. Bonds3

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

(2R,3S,4S,5S)-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxane-3,4,5-triol (PubChem CID 57006905) has the molecular formula C12H22O10 and a molecular weight of 326.30 g/mol. Its IUPAC name is (2R,3S,4S,5S)-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5S)-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxane-3,4,5-triol
PubChem CID57006905
Molecular FormulaC12H22O10
Molecular Weight326.30 g/mol
Exact Mass326.12
IUPAC Name(2R,3S,4S,5S)-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](O)[C@@H]([C@]2(O)[C@@H](O)CO[C@H](CO)[C@@H]2O)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H22O10/c13-1-4-8(16)9(17)7(11(19)22-4)12(20)6(15)3-21-5(2-14)10(12)18/h4-11,13-20H,1-3H2/t4-,5-,6+,7+,8+,9-,10+,11+,12-/m1/s1
InChIKeyAOVAZYPRHBQYRJ-USVQFWJSSA-N
XLogP-5.12
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 ≤ 5-5.12
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

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

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Related Compounds

(3S,4R,5R,6R)-6-(hydroxymethyl)-4-[(2R,3S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-2,3,4,5-tetrol
CID 69474351
6-(hydroxymethyl)oxane-2,3,4,5-tetrol;heptakis(2-(hydroxymethyl)oxane-3,4,5-triol)
CID 171703405
(2R,4R,5S)-2-(hydroxymethyl)-4-methyloxane-3,4,5-triol
CID 91029782
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
(2S,3S,4S,5S,6R)-2-[(2R,3R,4S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 173281082
(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

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S)-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5S)-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxane-3,4,5-triol (CID 57006905) is (2R,3S,4S,5S)-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5S)-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5S)-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxane-3,4,5-triol is OC[C@H]1O[C@H](O)[C@@H]([C@]2(O)[C@@H](O)CO[C@H](CO)[C@@H]2O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4S,5S)-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxane-3,4,5-triol?
The InChIKey is AOVAZYPRHBQYRJ-USVQFWJSSA-N. The full InChI is InChI=1S/C12H22O10/c13-1-4-8(16)9(17)7(11(19)22-4)12(20)6(15)3-21-5(2-14)10(12)18/h4-11,13-20H,1-3H2/t4-,5-,6+,7+,8+,9-,10+,11+,12-/m1/s1.
What are the key properties of (2R,3S,4S,5S)-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxane-3,4,5-triol?
(2R,3S,4S,5S)-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxane-3,4,5-triol has a molecular weight of 326.30 g/mol, XLogP of -5.12, 3 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S)-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxane-3,4,5-triol is sourced from PubChem (CID 57006905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).