CID 174148101

C12H23BO8P2 — CID 174148101

IUPAC—
SMILES[B][C@H]1C[C@H](/C=C/P(=O)(O)O)[C@@H](OC)[C@H]1OP(=O)(O)OC(C)(C)C
InChIInChI=1S/C12H23BO8P2/c1-12(2,3)21-23(17,18)20-11-9(13)7-8(10(11)19-4)5-6-22(14,15)16/h5-6,8-11H,7H2,1-4H3,(H,17,18)(H2,14,15,16)/b6-5+/t8-,9-,10+,11-/m0/s1
InChIKeyCRKWXHXXUKXGFY-ZIPJDONCSA-N
MW368.07 g/mol
LogP1.97
Rot. Bonds6

About CID 174148101

CID 174148101 (PubChem CID 174148101) has the molecular formula C12H23BO8P2 and a molecular weight of 368.07 g/mol.

Molecular Properties

Compound NameCID 174148101
PubChem CID174148101
Molecular FormulaC12H23BO8P2
Molecular Weight368.07 g/mol
Exact Mass368.10
IUPAC Name—
SMILES[B][C@H]1C[C@H](/C=C/P(=O)(O)O)[C@@H](OC)[C@H]1OP(=O)(O)OC(C)(C)C
InChIInChI=1S/C12H23BO8P2/c1-12(2,3)21-23(17,18)20-11-9(13)7-8(10(11)19-4)5-6-22(14,15)16/h5-6,8-11H,7H2,1-4H3,(H,17,18)(H2,14,15,16)/b6-5+/t8-,9-,10+,11-/m0/s1
InChIKeyCRKWXHXXUKXGFY-ZIPJDONCSA-N
XLogP1.97
TPSA122.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.07
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze CID 174148101 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 174148101?
The IUPAC name of CID 174148101 (CID 174148101) is not available.
What is the SMILES notation for CID 174148101?
The canonical SMILES for CID 174148101 is [B][C@H]1C[C@H](/C=C/P(=O)(O)O)[C@@H](OC)[C@H]1OP(=O)(O)OC(C)(C)C.
What is the InChIKey of CID 174148101?
The InChIKey is CRKWXHXXUKXGFY-ZIPJDONCSA-N. The full InChI is InChI=1S/C12H23BO8P2/c1-12(2,3)21-23(17,18)20-11-9(13)7-8(10(11)19-4)5-6-22(14,15)16/h5-6,8-11H,7H2,1-4H3,(H,17,18)(H2,14,15,16)/b6-5+/t8-,9-,10+,11-/m0/s1.
What are the key properties of CID 174148101?
CID 174148101 has a molecular weight of 368.07 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174148101 is sourced from PubChem (CID 174148101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).