(2R,3S,4S,5S)-5-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-2,3,4-triol

C12H22O11 — CID 162919608

IUPAC(2R,3S,4S,5S)-5-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-2,3,4-triol
SMILESOC[C@H]1O[C@@](CO)(O[C@H]2CO[C@](O)(CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H22O11/c13-1-5-7(16)10(19)12(4-15,22-5)23-6-2-21-11(20,3-14)9(18)8(6)17/h5-10,13-20H,1-4H2/t5-,6+,7-,8-,9+,10+,11-,12+/m1/s1
InChIKeyDHVHRMKJUUCPHX-CDUXTVBPSA-N
MW342.30 g/mol
LogP-5.39
Rot. Bonds5

About (2R,3S,4S,5S)-5-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-2,3,4-triol

(2R,3S,4S,5S)-5-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-2,3,4-triol (PubChem CID 162919608) has the molecular formula C12H22O11 and a molecular weight of 342.30 g/mol. Its IUPAC name is (2R,3S,4S,5S)-5-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-2,3,4-triol.

Molecular Properties

Compound Name(2R,3S,4S,5S)-5-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-2,3,4-triol
PubChem CID162919608
Molecular FormulaC12H22O11
Molecular Weight342.30 g/mol
Exact Mass342.12
IUPAC Name(2R,3S,4S,5S)-5-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-2,3,4-triol
SMILESOC[C@H]1O[C@@](CO)(O[C@H]2CO[C@](O)(CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H22O11/c13-1-5-7(16)10(19)12(4-15,22-5)23-6-2-21-11(20,3-14)9(18)8(6)17/h5-10,13-20H,1-4H2/t5-,6+,7-,8-,9+,10+,11-,12+/m1/s1
InChIKeyDHVHRMKJUUCPHX-CDUXTVBPSA-N
XLogP-5.39
TPSA189.53 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500342.30
LogP ≤ 5-5.39
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1011

Analyze (2R,3S,4S,5S)-5-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-2,3,4-triol with MolForge

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Related Compounds

(1R,2S,4S)-4-[(2R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)cyclohexane-1,2,3-triol
CID 149420071
[(3R,4S,5S)-4,5,6-trihydroxy-6-(hydroxymethyl)oxan-3-yl] hypofluorite
CID 175753100
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;(3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 174522323
2-[[2-[[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 14656613
(3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 91845169
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;cyclohexane-1,2,3,4,5,6-hexol
CID 67600990
(2S,3S,4S,5R,6S)-6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxyoxane-2,3,4,5-tetrol
CID 163199414
(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 173264286
2-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 170923599
(3R,4S,5R,6R)-2-[(2S,3S,4S,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 6326101
(3S,4R,5R,6S)-2-[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 156614239
(2R,3S,4S,5S,6S)-2-[(2S,3R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 94011386

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S)-5-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-2,3,4-triol?
The IUPAC name of (2R,3S,4S,5S)-5-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-2,3,4-triol (CID 162919608) is (2R,3S,4S,5S)-5-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-2,3,4-triol.
What is the SMILES notation for (2R,3S,4S,5S)-5-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-2,3,4-triol?
The canonical SMILES for (2R,3S,4S,5S)-5-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-2,3,4-triol is OC[C@H]1O[C@@](CO)(O[C@H]2CO[C@](O)(CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5S)-5-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-2,3,4-triol?
The InChIKey is DHVHRMKJUUCPHX-CDUXTVBPSA-N. The full InChI is InChI=1S/C12H22O11/c13-1-5-7(16)10(19)12(4-15,22-5)23-6-2-21-11(20,3-14)9(18)8(6)17/h5-10,13-20H,1-4H2/t5-,6+,7-,8-,9+,10+,11-,12+/m1/s1.
What are the key properties of (2R,3S,4S,5S)-5-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-2,3,4-triol?
(2R,3S,4S,5S)-5-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-2,3,4-triol has a molecular weight of 342.30 g/mol, XLogP of -5.39, 5 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S)-5-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-2,3,4-triol is sourced from PubChem (CID 162919608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).