(2S,3R,3aR,7R,7aR)-2,3,3a,7-tetrahydroxy-3,6,7,7a-tetrahydro-2H-furo[3,2-c]pyran-4-one

C7H10O7 — CID 18634355

IUPAC(2S,3R,3aR,7R,7aR)-2,3,3a,7-tetrahydroxy-3,6,7,7a-tetrahydro-2H-furo[3,2-c]pyran-4-one
SMILESO=C1OC[C@@H](O)[C@H]2O[C@H](O)[C@H](O)[C@]12O
InChIInChI=1S/C7H10O7/c8-2-1-13-6(11)7(12)3(9)5(10)14-4(2)7/h2-5,8-10,12H,1H2/t2-,3+,4-,5+,7-/m1/s1
InChIKeyFCWQBAHLBXRHSH-LNHNIDQWSA-N
MW206.15 g/mol
LogP-3.29
Rot. Bonds

About (2S,3R,3aR,7R,7aR)-2,3,3a,7-tetrahydroxy-3,6,7,7a-tetrahydro-2H-furo[3,2-c]pyran-4-one

(2S,3R,3aR,7R,7aR)-2,3,3a,7-tetrahydroxy-3,6,7,7a-tetrahydro-2H-furo[3,2-c]pyran-4-one (PubChem CID 18634355) has the molecular formula C7H10O7 and a molecular weight of 206.15 g/mol. Its IUPAC name is (2S,3R,3aR,7R,7aR)-2,3,3a,7-tetrahydroxy-3,6,7,7a-tetrahydro-2H-furo[3,2-c]pyran-4-one.

Molecular Properties

Compound Name(2S,3R,3aR,7R,7aR)-2,3,3a,7-tetrahydroxy-3,6,7,7a-tetrahydro-2H-furo[3,2-c]pyran-4-one
PubChem CID18634355
Molecular FormulaC7H10O7
Molecular Weight206.15 g/mol
Exact Mass206.04
IUPAC Name(2S,3R,3aR,7R,7aR)-2,3,3a,7-tetrahydroxy-3,6,7,7a-tetrahydro-2H-furo[3,2-c]pyran-4-one
SMILESO=C1OC[C@@H](O)[C@H]2O[C@H](O)[C@H](O)[C@]12O
InChIInChI=1S/C7H10O7/c8-2-1-13-6(11)7(12)3(9)5(10)14-4(2)7/h2-5,8-10,12H,1H2/t2-,3+,4-,5+,7-/m1/s1
InChIKeyFCWQBAHLBXRHSH-LNHNIDQWSA-N
XLogP-3.29
TPSA116.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.15
LogP ≤ 5-3.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2S,3R,3aR,7R,7aR)-2,3,3a,7-tetrahydroxy-3,6,7,7a-tetrahydro-2H-furo[3,2-c]pyran-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3R,3aR,7R,7aR)-2,3,3a,7-tetrahydroxy-3,6,7,7a-tetrahydro-2H-furo[3,2-c]pyran-4-one?
The IUPAC name of (2S,3R,3aR,7R,7aR)-2,3,3a,7-tetrahydroxy-3,6,7,7a-tetrahydro-2H-furo[3,2-c]pyran-4-one (CID 18634355) is (2S,3R,3aR,7R,7aR)-2,3,3a,7-tetrahydroxy-3,6,7,7a-tetrahydro-2H-furo[3,2-c]pyran-4-one.
What is the SMILES notation for (2S,3R,3aR,7R,7aR)-2,3,3a,7-tetrahydroxy-3,6,7,7a-tetrahydro-2H-furo[3,2-c]pyran-4-one?
The canonical SMILES for (2S,3R,3aR,7R,7aR)-2,3,3a,7-tetrahydroxy-3,6,7,7a-tetrahydro-2H-furo[3,2-c]pyran-4-one is O=C1OC[C@@H](O)[C@H]2O[C@H](O)[C@H](O)[C@]12O.
What is the InChIKey of (2S,3R,3aR,7R,7aR)-2,3,3a,7-tetrahydroxy-3,6,7,7a-tetrahydro-2H-furo[3,2-c]pyran-4-one?
The InChIKey is FCWQBAHLBXRHSH-LNHNIDQWSA-N. The full InChI is InChI=1S/C7H10O7/c8-2-1-13-6(11)7(12)3(9)5(10)14-4(2)7/h2-5,8-10,12H,1H2/t2-,3+,4-,5+,7-/m1/s1.
What are the key properties of (2S,3R,3aR,7R,7aR)-2,3,3a,7-tetrahydroxy-3,6,7,7a-tetrahydro-2H-furo[3,2-c]pyran-4-one?
(2S,3R,3aR,7R,7aR)-2,3,3a,7-tetrahydroxy-3,6,7,7a-tetrahydro-2H-furo[3,2-c]pyran-4-one has a molecular weight of 206.15 g/mol, XLogP of -3.29, 0 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,3aR,7R,7aR)-2,3,3a,7-tetrahydroxy-3,6,7,7a-tetrahydro-2H-furo[3,2-c]pyran-4-one is sourced from PubChem (CID 18634355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).