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

C12H22O11 — CID 140595638

IUPAC(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[hydroxy-[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@](O)(C(O)C2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H22O11/c13-1-3-5(15)7(17)8(18)9(22-3)11(20)12(21)10(19)6(16)4(2-14)23-12/h3-11,13-21H,1-2H2/t3-,4-,5-,6-,7+,8-,9?,10+,11?,12-/m1/s1
InChIKeySGIJDSZBUXUVBX-YUPUICAHSA-N
MW342.30 g/mol
LogP-6.01
Rot. Bonds4

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

(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[hydroxy-[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]oxane-3,4,5-triol (PubChem CID 140595638) has the molecular formula C12H22O11 and a molecular weight of 342.30 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-(hydroxymethyl)-6-[hydroxy-[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[hydroxy-[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]oxane-3,4,5-triol
PubChem CID140595638
Molecular FormulaC12H22O11
Molecular Weight342.30 g/mol
Exact Mass342.12
IUPAC Name(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[hydroxy-[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@](O)(C(O)C2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H22O11/c13-1-3-5(15)7(17)8(18)9(22-3)11(20)12(21)10(19)6(16)4(2-14)23-12/h3-11,13-21H,1-2H2/t3-,4-,5-,6-,7+,8-,9?,10+,11?,12-/m1/s1
InChIKeySGIJDSZBUXUVBX-YUPUICAHSA-N
XLogP-6.01
TPSA200.53 Ų
H-Bond Donors9
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500342.30
LogP ≤ 5-6.01
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1011

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

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Related Compounds

(2S,3S,4S,5R)-2-[chloro-[(2S,3R,4R,5R,6R)-5-chloro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 141147711
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[hydroxy-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]piperidine-2,3,4,5,6-pentol
CID 70145762
(3R,4S,5R,6R)-2-(difluoromethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 170546402
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol
CID 54179921
(3R,4S,5S,6R)-2-(difluoromethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 58060781
(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-propan-2-yloxane-3,4,5-triol;(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-propan-2-yloxane-3,4,5-triol
CID 158253201
(2R,3S,4S)-2-[(1R)-1-hydroxyethyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 138667541
2-hydroxy-2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetic acid
CID 134610723
(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4,5-tetrol
CID 57317456
(3R,6S)-2-(hydroxymethyl)-6-propan-2-yloxane-3,4,4,5-tetrol;(3S,4S,6R)-2-(hydroxymethyl)-6-propan-2-yloxane-3,4,5-triol;methane
CID 160866518
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

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2-(hydroxymethyl)-6-[hydroxy-[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R)-2-(hydroxymethyl)-6-[hydroxy-[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]oxane-3,4,5-triol (CID 140595638) is (2R,3S,4S,5R)-2-(hydroxymethyl)-6-[hydroxy-[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R)-2-(hydroxymethyl)-6-[hydroxy-[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R)-2-(hydroxymethyl)-6-[hydroxy-[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]oxane-3,4,5-triol is OC[C@H]1O[C@@](O)(C(O)C2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-2-(hydroxymethyl)-6-[hydroxy-[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]oxane-3,4,5-triol?
The InChIKey is SGIJDSZBUXUVBX-YUPUICAHSA-N. The full InChI is InChI=1S/C12H22O11/c13-1-3-5(15)7(17)8(18)9(22-3)11(20)12(21)10(19)6(16)4(2-14)23-12/h3-11,13-21H,1-2H2/t3-,4-,5-,6-,7+,8-,9?,10+,11?,12-/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2-(hydroxymethyl)-6-[hydroxy-[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]oxane-3,4,5-triol?
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[hydroxy-[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]oxane-3,4,5-triol has a molecular weight of 342.30 g/mol, XLogP of -6.01, 4 rotatable bonds, 9 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2-(hydroxymethyl)-6-[hydroxy-[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]oxane-3,4,5-triol is sourced from PubChem (CID 140595638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).