(1S,2R,5R,6R)-7-oxabicyclo[4.1.0]heptane-2,5-diol

C6H10O3 — CID 11829468

IUPAC(1S,2R,5R,6R)-7-oxabicyclo[4.1.0]heptane-2,5-diol
SMILESO[C@@H]1CC[C@@H](O)[C@H]2O[C@H]21
InChIInChI=1S/C6H10O3/c7-3-1-2-4(8)6-5(3)9-6/h3-8H,1-2H2/t3-,4-,5-,6+/m1/s1
InChIKeyOKBXNBDTAVIOJG-KAZBKCHUSA-N
MW130.14 g/mol
LogP-0.73
Rot. Bonds

About (1S,2R,5R,6R)-7-oxabicyclo[4.1.0]heptane-2,5-diol

(1S,2R,5R,6R)-7-oxabicyclo[4.1.0]heptane-2,5-diol (PubChem CID 11829468) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is (1S,2R,5R,6R)-7-oxabicyclo[4.1.0]heptane-2,5-diol.

Molecular Properties

Compound Name(1S,2R,5R,6R)-7-oxabicyclo[4.1.0]heptane-2,5-diol
PubChem CID11829468
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name(1S,2R,5R,6R)-7-oxabicyclo[4.1.0]heptane-2,5-diol
SMILESO[C@@H]1CC[C@@H](O)[C@H]2O[C@H]21
InChIInChI=1S/C6H10O3/c7-3-1-2-4(8)6-5(3)9-6/h3-8H,1-2H2/t3-,4-,5-,6+/m1/s1
InChIKeyOKBXNBDTAVIOJG-KAZBKCHUSA-N
XLogP-0.73
TPSA52.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 5-0.73
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,6R)-7-oxabicyclo[4.1.0]heptan-2-ol
CID 10996994
(1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-ol
CID 98116091
(1R,2S,8S)-9-oxabicyclo[6.1.0]nonan-2-ol
CID 92974259
(1S,8R)-9-oxabicyclo[6.1.0]nonan-2-ol
CID 11435006
(1S,2R,5R,6R)-9-oxabicyclo[4.2.1]nonane-2,5-diol
CID 93481856
(1S,2R,4R,5R,7S)-3,8-dioxatricyclo[5.1.0.02,4]octan-5-ol
CID 130756719
(3R,3aR,6R,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3,6-diol
CID 121459311
(1R,2S,6S,8R,9S)-3,7-dioxatricyclo[6.3.0.02,6]undecan-9-ol
CID 99944902
(1S,2R,6S,8S,9R)-3,7-dioxatricyclo[6.3.0.02,6]undecan-9-ol
CID 129407476
(3S,7S)-2,6-dioxatricyclo[3.3.0.03,7]octane-4,8-diol
CID 140835106
(1R,2S,3R,4R)-cyclohexane-1,2,3,4-tetrol
CID 10176209
(3aS,4R,6aR)-2,2-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxathiol-4-ol
CID 10899265

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5R,6R)-7-oxabicyclo[4.1.0]heptane-2,5-diol?
The IUPAC name of (1S,2R,5R,6R)-7-oxabicyclo[4.1.0]heptane-2,5-diol (CID 11829468) is (1S,2R,5R,6R)-7-oxabicyclo[4.1.0]heptane-2,5-diol.
What is the SMILES notation for (1S,2R,5R,6R)-7-oxabicyclo[4.1.0]heptane-2,5-diol?
The canonical SMILES for (1S,2R,5R,6R)-7-oxabicyclo[4.1.0]heptane-2,5-diol is O[C@@H]1CC[C@@H](O)[C@H]2O[C@H]21.
What is the InChIKey of (1S,2R,5R,6R)-7-oxabicyclo[4.1.0]heptane-2,5-diol?
The InChIKey is OKBXNBDTAVIOJG-KAZBKCHUSA-N. The full InChI is InChI=1S/C6H10O3/c7-3-1-2-4(8)6-5(3)9-6/h3-8H,1-2H2/t3-,4-,5-,6+/m1/s1.
What are the key properties of (1S,2R,5R,6R)-7-oxabicyclo[4.1.0]heptane-2,5-diol?
(1S,2R,5R,6R)-7-oxabicyclo[4.1.0]heptane-2,5-diol has a molecular weight of 130.14 g/mol, XLogP of -0.73, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5R,6R)-7-oxabicyclo[4.1.0]heptane-2,5-diol is sourced from PubChem (CID 11829468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).