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

C13H24O12 — CID 156616402

IUPAC(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxymethoxy]oxane-2,3,4-triol
SMILESOC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OCO[C@H]1[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]1CO
InChIInChI=1S/C13H24O12/c14-1-4-10(6(16)8(18)12(20)24-4)22-3-23-11-5(2-15)25-13(21)9(19)7(11)17/h4-21H,1-3H2/t4-,5-,6-,7-,8-,9-,10-,11-,12-,13+/m1/s1
InChIKeyCUBQHDGKAUCYLE-ZPYORWKPSA-N
MW372.32 g/mol
LogP-5.42
Rot. Bonds6

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

(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxymethoxy]oxane-2,3,4-triol (PubChem CID 156616402) has the molecular formula C13H24O12 and a molecular weight of 372.32 g/mol. Its IUPAC name is (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxymethoxy]oxane-2,3,4-triol.

Molecular Properties

Compound Name(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxymethoxy]oxane-2,3,4-triol
PubChem CID156616402
Molecular FormulaC13H24O12
Molecular Weight372.32 g/mol
Exact Mass372.13
IUPAC Name(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxymethoxy]oxane-2,3,4-triol
SMILESOC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OCO[C@H]1[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]1CO
InChIInChI=1S/C13H24O12/c14-1-4-10(6(16)8(18)12(20)24-4)22-3-23-11-5(2-15)25-13(21)9(19)7(11)17/h4-21H,1-3H2/t4-,5-,6-,7-,8-,9-,10-,11-,12-,13+/m1/s1
InChIKeyCUBQHDGKAUCYLE-ZPYORWKPSA-N
XLogP-5.42
TPSA198.76 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500372.32
LogP ≤ 5-5.42
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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

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Related Compounds

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CID 89313516
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
(2R,3S,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolane-2,3-diol
CID 130976876
(2R,5S)-5-ethoxy-2,6-bis(hydroxymethyl)oxane-3,4-diol
CID 174113767
(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)-4-(hydroxymethyl)oxetane-2,3-diol
CID 130341188

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxymethoxy]oxane-2,3,4-triol?
The IUPAC name of (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxymethoxy]oxane-2,3,4-triol (CID 156616402) is (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxymethoxy]oxane-2,3,4-triol.
What is the SMILES notation for (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxymethoxy]oxane-2,3,4-triol?
The canonical SMILES for (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxymethoxy]oxane-2,3,4-triol is OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OCO[C@H]1[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]1CO.
What is the InChIKey of (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxymethoxy]oxane-2,3,4-triol?
The InChIKey is CUBQHDGKAUCYLE-ZPYORWKPSA-N. The full InChI is InChI=1S/C13H24O12/c14-1-4-10(6(16)8(18)12(20)24-4)22-3-23-11-5(2-15)25-13(21)9(19)7(11)17/h4-21H,1-3H2/t4-,5-,6-,7-,8-,9-,10-,11-,12-,13+/m1/s1.
What are the key properties of (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxymethoxy]oxane-2,3,4-triol?
(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxymethoxy]oxane-2,3,4-triol has a molecular weight of 372.32 g/mol, XLogP of -5.42, 6 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxymethoxy]oxane-2,3,4-triol is sourced from PubChem (CID 156616402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).