CID 59063465

C16H28B2O8PS- — CID 59063465

IUPAC—
SMILES[B][C@@H]1O[C@H](COP(=O)([O-])S[C@@H]2C[C@H]([B])O[C@@H]2COC(C)C)[C@H](OC(C)C)C1O
InChIInChI=1S/C16H29B2O8PS/c1-8(2)22-6-10-12(5-13(17)25-10)28-27(20,21)23-7-11-15(24-9(3)4)14(19)16(18)26-11/h8-16,19H,5-7H2,1-4H3,(H,20,21)/p-1/t10-,11-,12-,13-,14?,15+,16-/m1/s1
InChIKeySYFNMQBXGMYQRR-JEKFVWIESA-M
MW433.06 g/mol
LogP0.33
Rot. Bonds10

About CID 59063465

CID 59063465 (PubChem CID 59063465) has the molecular formula C16H28B2O8PS- and a molecular weight of 433.06 g/mol.

Molecular Properties

Compound NameCID 59063465
PubChem CID59063465
Molecular FormulaC16H28B2O8PS-
Molecular Weight433.06 g/mol
Exact Mass433.14
IUPAC Name—
SMILES[B][C@@H]1O[C@H](COP(=O)([O-])S[C@@H]2C[C@H]([B])O[C@@H]2COC(C)C)[C@H](OC(C)C)C1O
InChIInChI=1S/C16H29B2O8PS/c1-8(2)22-6-10-12(5-13(17)25-10)28-27(20,21)23-7-11-15(24-9(3)4)14(19)16(18)26-11/h8-16,19H,5-7H2,1-4H3,(H,20,21)/p-1/t10-,11-,12-,13-,14?,15+,16-/m1/s1
InChIKeySYFNMQBXGMYQRR-JEKFVWIESA-M
XLogP0.33
TPSA106.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.06
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze CID 59063465 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 59063465?
The IUPAC name of CID 59063465 (CID 59063465) is not available.
What is the SMILES notation for CID 59063465?
The canonical SMILES for CID 59063465 is [B][C@@H]1O[C@H](COP(=O)([O-])S[C@@H]2C[C@H]([B])O[C@@H]2COC(C)C)[C@H](OC(C)C)C1O.
What is the InChIKey of CID 59063465?
The InChIKey is SYFNMQBXGMYQRR-JEKFVWIESA-M. The full InChI is InChI=1S/C16H29B2O8PS/c1-8(2)22-6-10-12(5-13(17)25-10)28-27(20,21)23-7-11-15(24-9(3)4)14(19)16(18)26-11/h8-16,19H,5-7H2,1-4H3,(H,20,21)/p-1/t10-,11-,12-,13-,14?,15+,16-/m1/s1.
What are the key properties of CID 59063465?
CID 59063465 has a molecular weight of 433.06 g/mol, XLogP of 0.33, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59063465 is sourced from PubChem (CID 59063465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).