CID 59297489

C10H21BNO6P — CID 59297489

IUPAC—
SMILES[B][C@@H]1O[C@H](COC)C(OP(C)(=O)O)[C@@H]1OCCCN
InChIInChI=1S/C10H21BNO6P/c1-15-6-7-8(18-19(2,13)14)9(10(11)17-7)16-5-3-4-12/h7-10H,3-6,12H2,1-2H3,(H,13,14)/t7-,8?,9+,10-/m1/s1
InChIKeyJKBGHHQFZQRJOE-JOUUOIQHSA-N
MW293.06 g/mol
LogP-0.54
Rot. Bonds8

About CID 59297489

CID 59297489 (PubChem CID 59297489) has the molecular formula C10H21BNO6P and a molecular weight of 293.06 g/mol.

Molecular Properties

Compound NameCID 59297489
PubChem CID59297489
Molecular FormulaC10H21BNO6P
Molecular Weight293.06 g/mol
Exact Mass293.12
IUPAC Name—
SMILES[B][C@@H]1O[C@H](COC)C(OP(C)(=O)O)[C@@H]1OCCCN
InChIInChI=1S/C10H21BNO6P/c1-15-6-7-8(18-19(2,13)14)9(10(11)17-7)16-5-3-4-12/h7-10H,3-6,12H2,1-2H3,(H,13,14)/t7-,8?,9+,10-/m1/s1
InChIKeyJKBGHHQFZQRJOE-JOUUOIQHSA-N
XLogP-0.54
TPSA100.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.06
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze CID 59297489 with MolForge

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

Launch Full Analysis

Related Compounds

CID 59297477
CID 59297477
CID 58581223
CID 58581223
CID 174046454
CID 174046454
CID 158071623
CID 158071623
CID 164706434
CID 164706434
CID 159344500
CID 159344500
CID 140681963
CID 140681963
CID 89182472
CID 89182472
CID 159888747
CID 159888747
CID 153295562
CID 153295562
CID 20741832
CID 20741832
CID 89105923
CID 89105923

Frequently Asked Questions

What is the IUPAC name of CID 59297489?
The IUPAC name of CID 59297489 (CID 59297489) is not available.
What is the SMILES notation for CID 59297489?
The canonical SMILES for CID 59297489 is [B][C@@H]1O[C@H](COC)C(OP(C)(=O)O)[C@@H]1OCCCN.
What is the InChIKey of CID 59297489?
The InChIKey is JKBGHHQFZQRJOE-JOUUOIQHSA-N. The full InChI is InChI=1S/C10H21BNO6P/c1-15-6-7-8(18-19(2,13)14)9(10(11)17-7)16-5-3-4-12/h7-10H,3-6,12H2,1-2H3,(H,13,14)/t7-,8?,9+,10-/m1/s1.
What are the key properties of CID 59297489?
CID 59297489 has a molecular weight of 293.06 g/mol, XLogP of -0.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59297489 is sourced from PubChem (CID 59297489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).