(3S,3aR,6R,6aS)-3,6-dihydroxy-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,5-dione

C7H8O5 — CID 130765315

IUPAC(3S,3aR,6R,6aS)-3,6-dihydroxy-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,5-dione
SMILESO=C1O[C@H]2[C@H](CC(=O)[C@@H]2O)[C@@H]1O
InChIInChI=1S/C7H8O5/c8-3-1-2-4(9)7(11)12-6(2)5(3)10/h2,4-6,9-10H,1H2/t2-,4+,5+,6+/m1/s1
InChIKeyFZOUWLNNWMWNIL-JSTMLOLSSA-N
MW172.14 g/mol
LogP-1.78
Rot. Bonds

About (3S,3aR,6R,6aS)-3,6-dihydroxy-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,5-dione

(3S,3aR,6R,6aS)-3,6-dihydroxy-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,5-dione (PubChem CID 130765315) has the molecular formula C7H8O5 and a molecular weight of 172.14 g/mol. Its IUPAC name is (3S,3aR,6R,6aS)-3,6-dihydroxy-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,5-dione.

Molecular Properties

Compound Name(3S,3aR,6R,6aS)-3,6-dihydroxy-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,5-dione
PubChem CID130765315
Molecular FormulaC7H8O5
Molecular Weight172.14 g/mol
Exact Mass172.04
IUPAC Name(3S,3aR,6R,6aS)-3,6-dihydroxy-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,5-dione
SMILESO=C1O[C@H]2[C@H](CC(=O)[C@@H]2O)[C@@H]1O
InChIInChI=1S/C7H8O5/c8-3-1-2-4(9)7(11)12-6(2)5(3)10/h2,4-6,9-10H,1H2/t2-,4+,5+,6+/m1/s1
InChIKeyFZOUWLNNWMWNIL-JSTMLOLSSA-N
XLogP-1.78
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-1.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S,3aR,6R,6aS)-3,6-dihydroxy-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,5-dione with MolForge

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Related Compounds

(5S)-3,4,5,6-tetrahydroxyoxan-2-one
CID 135075644
(3S,4S,5R,6R)-3,4,5,6,7-pentahydroxyoxepan-2-one
CID 175693945
4,6-dihydroxy-5-propan-2-ylidene-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 130149623
(3R,6S,6aS)-2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 71317103
(2S,3R,3aS,6aS)-2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 123134521
(3R,5S)-3,4,5-trihydroxy-6-methyloxan-2-one
CID 90338107
(3S,3aS,5R,6aR,9S,9aR,9bS)-5-hydroxy-3,9-dimethyl-6-methylidene-3a,4,5,6a,7,9,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2,8-dione
CID 14285660
3-hydroxy-3,3a,6,6a-tetrahydrofuro[2,3-c]furan-2,4-dione
CID 22034553
(3S,4S,6S)-4,6-dihydroxy-3-methyloxan-2-one
CID 118048937
(4S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one
CID 148905339
7-hydroxy-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
CID 130151867
(4aR,7R,7aR)-7-hydroxy-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
CID 130926096

Frequently Asked Questions

What is the IUPAC name of (3S,3aR,6R,6aS)-3,6-dihydroxy-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,5-dione?
The IUPAC name of (3S,3aR,6R,6aS)-3,6-dihydroxy-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,5-dione (CID 130765315) is (3S,3aR,6R,6aS)-3,6-dihydroxy-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,5-dione.
What is the SMILES notation for (3S,3aR,6R,6aS)-3,6-dihydroxy-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,5-dione?
The canonical SMILES for (3S,3aR,6R,6aS)-3,6-dihydroxy-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,5-dione is O=C1O[C@H]2[C@H](CC(=O)[C@@H]2O)[C@@H]1O.
What is the InChIKey of (3S,3aR,6R,6aS)-3,6-dihydroxy-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,5-dione?
The InChIKey is FZOUWLNNWMWNIL-JSTMLOLSSA-N. The full InChI is InChI=1S/C7H8O5/c8-3-1-2-4(9)7(11)12-6(2)5(3)10/h2,4-6,9-10H,1H2/t2-,4+,5+,6+/m1/s1.
What are the key properties of (3S,3aR,6R,6aS)-3,6-dihydroxy-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,5-dione?
(3S,3aR,6R,6aS)-3,6-dihydroxy-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,5-dione has a molecular weight of 172.14 g/mol, XLogP of -1.78, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aR,6R,6aS)-3,6-dihydroxy-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,5-dione is sourced from PubChem (CID 130765315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).