(3S,4R)-(313C)oxolane-2,3,4-triol

C4H8O4 — CID 90472722

IUPAC(3S,4R)-(313C)oxolane-2,3,4-triol
SMILESOC1OC[C@@H](O)[13C@@H]1O
InChIInChI=1S/C4H8O4/c5-2-1-8-4(7)3(2)6/h2-7H,1H2/t2-,3+,4?/m1/s1/i3+1
InChIKeyFMAORJIQYMIRHF-QLUVSIKNSA-N
MW121.10 g/mol
LogP-1.94
Rot. Bonds

About (3S,4R)-(313C)oxolane-2,3,4-triol

(3S,4R)-(313C)oxolane-2,3,4-triol (PubChem CID 90472722) has the molecular formula C4H8O4 and a molecular weight of 121.10 g/mol. Its IUPAC name is (3S,4R)-(313C)oxolane-2,3,4-triol.

Molecular Properties

Compound Name(3S,4R)-(313C)oxolane-2,3,4-triol
PubChem CID90472722
Molecular FormulaC4H8O4
Molecular Weight121.10 g/mol
Exact Mass121.05
IUPAC Name(3S,4R)-(313C)oxolane-2,3,4-triol
SMILESOC1OC[C@@H](O)[13C@@H]1O
InChIInChI=1S/C4H8O4/c5-2-1-8-4(7)3(2)6/h2-7H,1H2/t2-,3+,4?/m1/s1/i3+1
InChIKeyFMAORJIQYMIRHF-QLUVSIKNSA-N
XLogP-1.94
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.10
LogP ≤ 5-1.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S,4S)-oxolane-2,3,4-triol
CID 10464337
(4S,5R)-oxane-2,3,4,5-tetrol
CID 71313478
(4S)-oxane-2,3,4,5-tetrol
CID 135265936
(2S,3S,4S,5R)-3-aminooxane-2,4,5-triol
CID 130792637
(2S,3R,4S,5R)-3-aminooxane-2,4,5-triol
CID 55289046
(3R,4R,5R)-4-aminooxane-2,3,5-triol
CID 131196002
(2S,3S,4R,5S)-4-aminooxane-2,3,5-triol
CID 93493392
(3R,4S,5R)-oxane-2,3,4,5-tetrol;2,2,2-trifluoroacetic acid
CID 160569565
(2R,3R,4R,5S)-4-(methylamino)oxane-2,3,5-triol
CID 162991407
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(3R,4S,5R)-oxane-2,3,4,5-tetrol
CID 154641569
4-(dimethylamino)oxane-2,3,5-triol
CID 123166220
(2S,3R,4S,5R)-2-[(3R,4R,5R,6S)-6-[(3R,4R,5R,6S)-6-[(3R,4R,5R,6S)-4,5-dihydroxy-6-[(3R,4R,5R,6R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 5289597

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-(313C)oxolane-2,3,4-triol?
The IUPAC name of (3S,4R)-(313C)oxolane-2,3,4-triol (CID 90472722) is (3S,4R)-(313C)oxolane-2,3,4-triol.
What is the SMILES notation for (3S,4R)-(313C)oxolane-2,3,4-triol?
The canonical SMILES for (3S,4R)-(313C)oxolane-2,3,4-triol is OC1OC[C@@H](O)[13C@@H]1O.
What is the InChIKey of (3S,4R)-(313C)oxolane-2,3,4-triol?
The InChIKey is FMAORJIQYMIRHF-QLUVSIKNSA-N. The full InChI is InChI=1S/C4H8O4/c5-2-1-8-4(7)3(2)6/h2-7H,1H2/t2-,3+,4?/m1/s1/i3+1.
What are the key properties of (3S,4R)-(313C)oxolane-2,3,4-triol?
(3S,4R)-(313C)oxolane-2,3,4-triol has a molecular weight of 121.10 g/mol, XLogP of -1.94, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-(313C)oxolane-2,3,4-triol is sourced from PubChem (CID 90472722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).