(3aR,4S,6aR)-4-(hydroxymethyl)-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one

C7H10O4 — CID 15511971

IUPAC(3aR,4S,6aR)-4-(hydroxymethyl)-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one
SMILESO=C1C[C@H]2[C@H](CO[C@@H]2CO)O1
InChIInChI=1S/C7H10O4/c8-2-5-4-1-7(9)11-6(4)3-10-5/h4-6,8H,1-3H2/t4-,5-,6+/m1/s1
InChIKeyPLMGSVMJWWCXNS-PBXRRBTRSA-N
MW158.15 g/mol
LogP-0.69
Rot. Bonds1

About (3aR,4S,6aR)-4-(hydroxymethyl)-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one

(3aR,4S,6aR)-4-(hydroxymethyl)-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one (PubChem CID 15511971) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is (3aR,4S,6aR)-4-(hydroxymethyl)-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one.

Molecular Properties

Compound Name(3aR,4S,6aR)-4-(hydroxymethyl)-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one
PubChem CID15511971
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name(3aR,4S,6aR)-4-(hydroxymethyl)-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one
SMILESO=C1C[C@H]2[C@H](CO[C@@H]2CO)O1
InChIInChI=1S/C7H10O4/c8-2-5-4-1-7(9)11-6(4)3-10-5/h4-6,8H,1-3H2/t4-,5-,6+/m1/s1
InChIKeyPLMGSVMJWWCXNS-PBXRRBTRSA-N
XLogP-0.69
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3aR,4S,6aR)-4-(hydroxymethyl)-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one?
The IUPAC name of (3aR,4S,6aR)-4-(hydroxymethyl)-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one (CID 15511971) is (3aR,4S,6aR)-4-(hydroxymethyl)-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one.
What is the SMILES notation for (3aR,4S,6aR)-4-(hydroxymethyl)-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one?
The canonical SMILES for (3aR,4S,6aR)-4-(hydroxymethyl)-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one is O=C1C[C@H]2[C@H](CO[C@@H]2CO)O1.
What is the InChIKey of (3aR,4S,6aR)-4-(hydroxymethyl)-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one?
The InChIKey is PLMGSVMJWWCXNS-PBXRRBTRSA-N. The full InChI is InChI=1S/C7H10O4/c8-2-5-4-1-7(9)11-6(4)3-10-5/h4-6,8H,1-3H2/t4-,5-,6+/m1/s1.
What are the key properties of (3aR,4S,6aR)-4-(hydroxymethyl)-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one?
(3aR,4S,6aR)-4-(hydroxymethyl)-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one has a molecular weight of 158.15 g/mol, XLogP of -0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4S,6aR)-4-(hydroxymethyl)-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one is sourced from PubChem (CID 15511971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).