CID 134959684

C30H32O6 — CID 134959684

IUPAC—
SMILESCOc1ccc([C@H]2CC3(C[C@H](c4ccc(OC)cc4)C24C(O)c2ccccc2C4O)OCCO3)cc1
InChIInChI=1S/C30H32O6/c1-33-21-11-7-19(8-12-21)25-17-29(35-15-16-36-29)18-26(20-9-13-22(34-2)14-10-20)30(25)27(31)23-5-3-4-6-24(23)28(30)32/h3-14,25-28,31-32H,15-18H2,1-2H3/t25-,26-,27?,28?/m1/s1
InChIKeyJJBPGMRUTWILHX-XPALAHHGSA-N
MW488.58 g/mol
LogP4.88
Rot. Bonds4

About CID 134959684

CID 134959684 (PubChem CID 134959684) has the molecular formula C30H32O6 and a molecular weight of 488.58 g/mol.

Molecular Properties

Compound NameCID 134959684
PubChem CID134959684
Molecular FormulaC30H32O6
Molecular Weight488.58 g/mol
Exact Mass488.22
IUPAC Name—
SMILESCOc1ccc([C@H]2CC3(C[C@H](c4ccc(OC)cc4)C24C(O)c2ccccc2C4O)OCCO3)cc1
InChIInChI=1S/C30H32O6/c1-33-21-11-7-19(8-12-21)25-17-29(35-15-16-36-29)18-26(20-9-13-22(34-2)14-10-20)30(25)27(31)23-5-3-4-6-24(23)28(30)32/h3-14,25-28,31-32H,15-18H2,1-2H3/t25-,26-,27?,28?/m1/s1
InChIKeyJJBPGMRUTWILHX-XPALAHHGSA-N
XLogP4.88
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.58
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze CID 134959684 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 CID 134959684?
The IUPAC name of CID 134959684 (CID 134959684) is not available.
What is the SMILES notation for CID 134959684?
The canonical SMILES for CID 134959684 is COc1ccc([C@H]2CC3(C[C@H](c4ccc(OC)cc4)C24C(O)c2ccccc2C4O)OCCO3)cc1.
What is the InChIKey of CID 134959684?
The InChIKey is JJBPGMRUTWILHX-XPALAHHGSA-N. The full InChI is InChI=1S/C30H32O6/c1-33-21-11-7-19(8-12-21)25-17-29(35-15-16-36-29)18-26(20-9-13-22(34-2)14-10-20)30(25)27(31)23-5-3-4-6-24(23)28(30)32/h3-14,25-28,31-32H,15-18H2,1-2H3/t25-,26-,27?,28?/m1/s1.
What are the key properties of CID 134959684?
CID 134959684 has a molecular weight of 488.58 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134959684 is sourced from PubChem (CID 134959684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).