CID 59925261

C16H29B2O8PS — CID 59925261

IUPAC—
SMILES[B][C@@H]1O[C@H](COP(=O)(O)SC2C[C@H]([B])O[C@@H]2COC(C)C)C(OC(C)C)[C@@H]1O
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)/t10-,11-,12?,13-,14+,15?,16-/m1/s1
InChIKeySYFNMQBXGMYQRR-UWCPPPGMSA-N
MW434.07 g/mol
LogP0.96
Rot. Bonds10

About CID 59925261

CID 59925261 (PubChem CID 59925261) has the molecular formula C16H29B2O8PS and a molecular weight of 434.07 g/mol.

Molecular Properties

Compound NameCID 59925261
PubChem CID59925261
Molecular FormulaC16H29B2O8PS
Molecular Weight434.07 g/mol
Exact Mass434.15
IUPAC Name—
SMILES[B][C@@H]1O[C@H](COP(=O)(O)SC2C[C@H]([B])O[C@@H]2COC(C)C)C(OC(C)C)[C@@H]1O
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)/t10-,11-,12?,13-,14+,15?,16-/m1/s1
InChIKeySYFNMQBXGMYQRR-UWCPPPGMSA-N
XLogP0.96
TPSA103.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.07
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59925261?
The IUPAC name of CID 59925261 (CID 59925261) is not available.
What is the SMILES notation for CID 59925261?
The canonical SMILES for CID 59925261 is [B][C@@H]1O[C@H](COP(=O)(O)SC2C[C@H]([B])O[C@@H]2COC(C)C)C(OC(C)C)[C@@H]1O.
What is the InChIKey of CID 59925261?
The InChIKey is SYFNMQBXGMYQRR-UWCPPPGMSA-N. 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)/t10-,11-,12?,13-,14+,15?,16-/m1/s1.
What are the key properties of CID 59925261?
CID 59925261 has a molecular weight of 434.07 g/mol, XLogP of 0.96, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59925261 is sourced from PubChem (CID 59925261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).