(1R,5S,6S,7S)-6,7-dihydroxy-1-(hydroxymethyl)-2-oxabicyclo[3.2.0]heptan-3-one

C7H10O5 — CID 11332753

IUPAC(1R,5S,6S,7S)-6,7-dihydroxy-1-(hydroxymethyl)-2-oxabicyclo[3.2.0]heptan-3-one
SMILESO=C1C[C@H]2[C@H](O)[C@H](O)[C@@]2(CO)O1
InChIInChI=1S/C7H10O5/c8-2-7-3(1-4(9)12-7)5(10)6(7)11/h3,5-6,8,10-11H,1-2H2/t3-,5-,6-,7-/m0/s1
InChIKeyQTVFQQOBFQQXBQ-RRNYIBRJSA-N
MW174.15 g/mol
LogP-1.98
Rot. Bonds1

About (1R,5S,6S,7S)-6,7-dihydroxy-1-(hydroxymethyl)-2-oxabicyclo[3.2.0]heptan-3-one

(1R,5S,6S,7S)-6,7-dihydroxy-1-(hydroxymethyl)-2-oxabicyclo[3.2.0]heptan-3-one (PubChem CID 11332753) has the molecular formula C7H10O5 and a molecular weight of 174.15 g/mol. Its IUPAC name is (1R,5S,6S,7S)-6,7-dihydroxy-1-(hydroxymethyl)-2-oxabicyclo[3.2.0]heptan-3-one.

Molecular Properties

Compound Name(1R,5S,6S,7S)-6,7-dihydroxy-1-(hydroxymethyl)-2-oxabicyclo[3.2.0]heptan-3-one
PubChem CID11332753
Molecular FormulaC7H10O5
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name(1R,5S,6S,7S)-6,7-dihydroxy-1-(hydroxymethyl)-2-oxabicyclo[3.2.0]heptan-3-one
SMILESO=C1C[C@H]2[C@H](O)[C@H](O)[C@@]2(CO)O1
InChIInChI=1S/C7H10O5/c8-2-7-3(1-4(9)12-7)5(10)6(7)11/h3,5-6,8,10-11H,1-2H2/t3-,5-,6-,7-/m0/s1
InChIKeyQTVFQQOBFQQXBQ-RRNYIBRJSA-N
XLogP-1.98
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 5-1.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (1R,5S,6S,7S)-6,7-dihydroxy-1-(hydroxymethyl)-2-oxabicyclo[3.2.0]heptan-3-one with MolForge

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Related Compounds

(1S,4S,5R)-1-fluoro-4-(hydroxymethyl)-3-oxabicyclo[3.2.0]heptan-2-one
CID 53375848
(1R,4S,5S)-1-fluoro-4-(hydroxymethyl)-3-oxabicyclo[3.2.0]heptan-2-one
CID 53375849
(1R*,5S*,6S*,7R*)-6,7-Dihydroxy-6-hydroxymethyl-2-oxabicyclo[3.2.0]heptan-3-one
CID 101472104
ethyl 2-[(1S,5S,6S,7S)-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-hydroxy-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]heptan-6-yl]acetate
CID 134830982
ethyl 2-[(1S,5S,6R,7R)-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-hydroxy-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]heptan-6-yl]acetate
CID 134830983
ethyl 2-[(1S,5S,6R,7S)-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-hydroxy-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]heptan-6-yl]acetate
CID 134830984
(1S,2S,6S,7R)-7-(hydroxymethyl)-4,4-dimethyl-3,5,8-trioxatricyclo[5.3.0.02,6]decan-9-one
CID 135041029
6-(1-Hydroxyethyl)-2-methyl-4-oxo-3-oxabicyclo[3.2.0]heptane-7-carboxylic acid
CID 348601
(1S,4R,5R)-4-(hydroxymethyl)-3-oxabicyclo[3.2.0]heptan-2-one
CID 11008010
(1R,4S,5S)-4-(hydroxymethyl)-3-oxabicyclo[3.2.0]heptan-2-one
CID 101390776
(1R,4S,5R)-4,5,7-trihydroxy-6,6-dimethyl-2-oxabicyclo[3.2.0]heptan-3-one
CID 54148638
[(1S,2S,5R,6S,7R)-6,7-dihydroxy-1-methyl-4-oxo-3-oxabicyclo[3.2.0]heptan-2-yl]methyl 2,2-dimethylpropanoate
CID 401629

Frequently Asked Questions

What is the IUPAC name of (1R,5S,6S,7S)-6,7-dihydroxy-1-(hydroxymethyl)-2-oxabicyclo[3.2.0]heptan-3-one?
The IUPAC name of (1R,5S,6S,7S)-6,7-dihydroxy-1-(hydroxymethyl)-2-oxabicyclo[3.2.0]heptan-3-one (CID 11332753) is (1R,5S,6S,7S)-6,7-dihydroxy-1-(hydroxymethyl)-2-oxabicyclo[3.2.0]heptan-3-one.
What is the SMILES notation for (1R,5S,6S,7S)-6,7-dihydroxy-1-(hydroxymethyl)-2-oxabicyclo[3.2.0]heptan-3-one?
The canonical SMILES for (1R,5S,6S,7S)-6,7-dihydroxy-1-(hydroxymethyl)-2-oxabicyclo[3.2.0]heptan-3-one is O=C1C[C@H]2[C@H](O)[C@H](O)[C@@]2(CO)O1.
What is the InChIKey of (1R,5S,6S,7S)-6,7-dihydroxy-1-(hydroxymethyl)-2-oxabicyclo[3.2.0]heptan-3-one?
The InChIKey is QTVFQQOBFQQXBQ-RRNYIBRJSA-N. The full InChI is InChI=1S/C7H10O5/c8-2-7-3(1-4(9)12-7)5(10)6(7)11/h3,5-6,8,10-11H,1-2H2/t3-,5-,6-,7-/m0/s1.
What are the key properties of (1R,5S,6S,7S)-6,7-dihydroxy-1-(hydroxymethyl)-2-oxabicyclo[3.2.0]heptan-3-one?
(1R,5S,6S,7S)-6,7-dihydroxy-1-(hydroxymethyl)-2-oxabicyclo[3.2.0]heptan-3-one has a molecular weight of 174.15 g/mol, XLogP of -1.98, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6S,7S)-6,7-dihydroxy-1-(hydroxymethyl)-2-oxabicyclo[3.2.0]heptan-3-one is sourced from PubChem (CID 11332753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).