(1R,2S,3S,5R)-6-oxabicyclo[3.1.0]hexane-2,3-diol

C5H8O3 — CID 98516260

IUPAC(1R,2S,3S,5R)-6-oxabicyclo[3.1.0]hexane-2,3-diol
SMILESO[C@@H]1[C@H]2O[C@@H]2C[C@@H]1O
InChIInChI=1S/C5H8O3/c6-2-1-3-5(8-3)4(2)7/h2-7H,1H2/t2-,3+,4-,5-/m0/s1
InChIKeyDEVQRFGIFOXZTQ-QTBDOELSSA-N
MW116.12 g/mol
LogP-1.12
Rot. Bonds

About (1R,2S,3S,5R)-6-oxabicyclo[3.1.0]hexane-2,3-diol

(1R,2S,3S,5R)-6-oxabicyclo[3.1.0]hexane-2,3-diol (PubChem CID 98516260) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is (1R,2S,3S,5R)-6-oxabicyclo[3.1.0]hexane-2,3-diol.

Molecular Properties

Compound Name(1R,2S,3S,5R)-6-oxabicyclo[3.1.0]hexane-2,3-diol
PubChem CID98516260
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name(1R,2S,3S,5R)-6-oxabicyclo[3.1.0]hexane-2,3-diol
SMILESO[C@@H]1[C@H]2O[C@@H]2C[C@@H]1O
InChIInChI=1S/C5H8O3/c6-2-1-3-5(8-3)4(2)7/h2-7H,1H2/t2-,3+,4-,5-/m0/s1
InChIKeyDEVQRFGIFOXZTQ-QTBDOELSSA-N
XLogP-1.12
TPSA52.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(1S,2R,4R,5R,7S)-3,8-dioxatricyclo[5.1.0.02,4]octan-5-ol
CID 130756719
[(2S,5S)-2,3-dihydroxy-6-oxabicyclo[3.1.1]heptan-7-yl] dihydrogen phosphate
CID 130980003
N-(3,4-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl)acetamide
CID 58948074
2-oxabicyclo[1.1.1]pentan-4-ol
CID 171036027
2,7-dioxatricyclo[4.4.0.03,8]decan-4-ol
CID 130124205
(1S,2S,4S,6S,7S,9S)-3,8,11-trioxatetracyclo[4.4.1.02,4.07,9]undecane
CID 162902554
(1S,2R,3S,5S)-3-(2-hydroxyethoxy)-6-oxabicyclo[3.1.0]hexan-2-ol
CID 141351698
(2R,4R)-4-tert-butyl-7-oxabicyclo[4.1.0]heptan-2-ol
CID 130964751
(1R,2R,3S,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3-diol
CID 68732339
(1S,2S,3R,5R,7R,8S,10S)-4-oxatetracyclo[6.2.1.02,7.03,5]undecan-10-ol
CID 98541977
oxane-2,3,4,6-tetrol
CID 123881821
2-methyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-5,6-diol
CID 19000719

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S,5R)-6-oxabicyclo[3.1.0]hexane-2,3-diol?
The IUPAC name of (1R,2S,3S,5R)-6-oxabicyclo[3.1.0]hexane-2,3-diol (CID 98516260) is (1R,2S,3S,5R)-6-oxabicyclo[3.1.0]hexane-2,3-diol.
What is the SMILES notation for (1R,2S,3S,5R)-6-oxabicyclo[3.1.0]hexane-2,3-diol?
The canonical SMILES for (1R,2S,3S,5R)-6-oxabicyclo[3.1.0]hexane-2,3-diol is O[C@@H]1[C@H]2O[C@@H]2C[C@@H]1O.
What is the InChIKey of (1R,2S,3S,5R)-6-oxabicyclo[3.1.0]hexane-2,3-diol?
The InChIKey is DEVQRFGIFOXZTQ-QTBDOELSSA-N. The full InChI is InChI=1S/C5H8O3/c6-2-1-3-5(8-3)4(2)7/h2-7H,1H2/t2-,3+,4-,5-/m0/s1.
What are the key properties of (1R,2S,3S,5R)-6-oxabicyclo[3.1.0]hexane-2,3-diol?
(1R,2S,3S,5R)-6-oxabicyclo[3.1.0]hexane-2,3-diol has a molecular weight of 116.12 g/mol, XLogP of -1.12, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S,5R)-6-oxabicyclo[3.1.0]hexane-2,3-diol is sourced from PubChem (CID 98516260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).