CID 155766350

C14H24B2O11P2-2 — CID 155766350

IUPAC—
SMILES[B][C@@H]1OCC(OP(=O)([O-])O[C@H]2C(OP(=O)([O-])OC(C)C)CO[C@H]2[B])[C@@H]1OC(C)C
InChIInChI=1S/C14H26B2O11P2/c1-7(2)23-11-9(5-21-13(11)15)25-29(19,20)27-12-10(6-22-14(12)16)26-28(17,18)24-8(3)4/h7-14H,5-6H2,1-4H3,(H,17,18)(H,19,20)/p-2/t9?,10?,11-,12-,13+,14+/m0/s1
InChIKeyBPLAZDMBYAKZLD-USJZFLSJSA-L
MW451.91 g/mol
LogP-0.65
Rot. Bonds10

About CID 155766350

CID 155766350 (PubChem CID 155766350) has the molecular formula C14H24B2O11P2-2 and a molecular weight of 451.91 g/mol.

Molecular Properties

Compound NameCID 155766350
PubChem CID155766350
Molecular FormulaC14H24B2O11P2-2
Molecular Weight451.91 g/mol
Exact Mass452.10
IUPAC Name—
SMILES[B][C@@H]1OCC(OP(=O)([O-])O[C@H]2C(OP(=O)([O-])OC(C)C)CO[C@H]2[B])[C@@H]1OC(C)C
InChIInChI=1S/C14H26B2O11P2/c1-7(2)23-11-9(5-21-13(11)15)25-29(19,20)27-12-10(6-22-14(12)16)26-28(17,18)24-8(3)4/h7-14H,5-6H2,1-4H3,(H,17,18)(H,19,20)/p-2/t9?,10?,11-,12-,13+,14+/m0/s1
InChIKeyBPLAZDMBYAKZLD-USJZFLSJSA-L
XLogP-0.65
TPSA144.87 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.91
LogP ≤ 5-0.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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 155766350?
The IUPAC name of CID 155766350 (CID 155766350) is not available.
What is the SMILES notation for CID 155766350?
The canonical SMILES for CID 155766350 is [B][C@@H]1OCC(OP(=O)([O-])O[C@H]2C(OP(=O)([O-])OC(C)C)CO[C@H]2[B])[C@@H]1OC(C)C.
What is the InChIKey of CID 155766350?
The InChIKey is BPLAZDMBYAKZLD-USJZFLSJSA-L. The full InChI is InChI=1S/C14H26B2O11P2/c1-7(2)23-11-9(5-21-13(11)15)25-29(19,20)27-12-10(6-22-14(12)16)26-28(17,18)24-8(3)4/h7-14H,5-6H2,1-4H3,(H,17,18)(H,19,20)/p-2/t9?,10?,11-,12-,13+,14+/m0/s1.
What are the key properties of CID 155766350?
CID 155766350 has a molecular weight of 451.91 g/mol, XLogP of -0.65, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155766350 is sourced from PubChem (CID 155766350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).