(3S,4R,5R)-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolane-2,3,4-triol

C7H14O7 — CID 67823819

IUPAC(3S,4R,5R)-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolane-2,3,4-triol
SMILESOC[C@@H](O)[C@@H](O)[C@H]1OC(O)[C@@H](O)[C@H]1O
InChIInChI=1S/C7H14O7/c8-1-2(9)3(10)6-4(11)5(12)7(13)14-6/h2-13H,1H2/t2-,3-,4-,5+,6-,7?/m1/s1
InChIKeyFEPIQWDROKRXHM-OLWSXQJJSA-N
MW210.18 g/mol
LogP-3.86
Rot. Bonds3

About (3S,4R,5R)-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolane-2,3,4-triol

(3S,4R,5R)-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolane-2,3,4-triol (PubChem CID 67823819) has the molecular formula C7H14O7 and a molecular weight of 210.18 g/mol. Its IUPAC name is (3S,4R,5R)-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolane-2,3,4-triol.

Molecular Properties

Compound Name(3S,4R,5R)-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolane-2,3,4-triol
PubChem CID67823819
Molecular FormulaC7H14O7
Molecular Weight210.18 g/mol
Exact Mass210.07
IUPAC Name(3S,4R,5R)-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolane-2,3,4-triol
SMILESOC[C@@H](O)[C@@H](O)[C@H]1OC(O)[C@@H](O)[C@H]1O
InChIInChI=1S/C7H14O7/c8-1-2(9)3(10)6-4(11)5(12)7(13)14-6/h2-13H,1H2/t2-,3-,4-,5+,6-,7?/m1/s1
InChIKeyFEPIQWDROKRXHM-OLWSXQJJSA-N
XLogP-3.86
TPSA130.61 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.18
LogP ≤ 5-3.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze (3S,4R,5R)-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolane-2,3,4-triol with MolForge

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Related Compounds

(2R)-5-(1,2,3-trihydroxypropyl)oxolane-2,3,4-triol
CID 22887183
(3R,4S,5R)-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolane-2,3,4-triol
CID 67824107
(2S,3S,4S,5S,6R)-6-(1,2,3-trihydroxypropyl)oxane-2,3,4,5-tetrol
CID 70476129
(3R,4S,5S,6R)-6-[(1R,2R,3R)-1,2,3,4-tetrahydroxybutyl]oxane-2,3,4,5-tetrol
CID 91197418
(3R,4R,5R)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 15560221
(3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 15560232
(2R,5S)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 137349473
(2S,3S,4S,5S)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 67949243
(2R,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 129307306
(2R,3R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 53249955
(2S,3S,4S,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 21120523
(2R,4S,5S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 132935719

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolane-2,3,4-triol?
The IUPAC name of (3S,4R,5R)-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolane-2,3,4-triol (CID 67823819) is (3S,4R,5R)-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolane-2,3,4-triol.
What is the SMILES notation for (3S,4R,5R)-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolane-2,3,4-triol?
The canonical SMILES for (3S,4R,5R)-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolane-2,3,4-triol is OC[C@@H](O)[C@@H](O)[C@H]1OC(O)[C@@H](O)[C@H]1O.
What is the InChIKey of (3S,4R,5R)-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolane-2,3,4-triol?
The InChIKey is FEPIQWDROKRXHM-OLWSXQJJSA-N. The full InChI is InChI=1S/C7H14O7/c8-1-2(9)3(10)6-4(11)5(12)7(13)14-6/h2-13H,1H2/t2-,3-,4-,5+,6-,7?/m1/s1.
What are the key properties of (3S,4R,5R)-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolane-2,3,4-triol?
(3S,4R,5R)-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolane-2,3,4-triol has a molecular weight of 210.18 g/mol, XLogP of -3.86, 3 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolane-2,3,4-triol is sourced from PubChem (CID 67823819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).