CID 134974898

C13H20O6 — CID 134974898

IUPAC—
SMILESCC1(C)OC2[C@@H](CO[C@]3(COC(C)(C)O3)C23CO3)O1
InChIInChI=1S/C13H20O6/c1-10(2)15-7-13(19-10)12(6-16-12)9-8(5-14-13)17-11(3,4)18-9/h8-9H,5-7H2,1-4H3/t8-,9?,12?,13+/m1/s1
InChIKeyZOSVMZGWRDWMHR-NFNIOBPHSA-N
MW272.30 g/mol
LogP0.78
Rot. Bonds

About CID 134974898

CID 134974898 (PubChem CID 134974898) has the molecular formula C13H20O6 and a molecular weight of 272.30 g/mol.

Molecular Properties

Compound NameCID 134974898
PubChem CID134974898
Molecular FormulaC13H20O6
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Name—
SMILESCC1(C)OC2[C@@H](CO[C@]3(COC(C)(C)O3)C23CO3)O1
InChIInChI=1S/C13H20O6/c1-10(2)15-7-13(19-10)12(6-16-12)9-8(5-14-13)17-11(3,4)18-9/h8-9H,5-7H2,1-4H3/t8-,9?,12?,13+/m1/s1
InChIKeyZOSVMZGWRDWMHR-NFNIOBPHSA-N
XLogP0.78
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 134974898?
The IUPAC name of CID 134974898 (CID 134974898) is not available.
What is the SMILES notation for CID 134974898?
The canonical SMILES for CID 134974898 is CC1(C)OC2[C@@H](CO[C@]3(COC(C)(C)O3)C23CO3)O1.
What is the InChIKey of CID 134974898?
The InChIKey is ZOSVMZGWRDWMHR-NFNIOBPHSA-N. The full InChI is InChI=1S/C13H20O6/c1-10(2)15-7-13(19-10)12(6-16-12)9-8(5-14-13)17-11(3,4)18-9/h8-9H,5-7H2,1-4H3/t8-,9?,12?,13+/m1/s1.
What are the key properties of CID 134974898?
CID 134974898 has a molecular weight of 272.30 g/mol, XLogP of 0.78, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134974898 is sourced from PubChem (CID 134974898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).