CID 89009739

C18H32BO11P — CID 89009739

IUPAC—
SMILES[B]C1O[C@H](COP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)[C@@H](O)[C@@]1(C)O
InChIInChI=1S/C18H32BO11P/c1-16(2,3)14(21)25-9-28-31(24,29-10-26-15(22)17(4,5)6)27-8-11-12(20)18(7,23)13(19)30-11/h11-13,20,23H,8-10H2,1-7H3/t11-,12-,13?,18-/m1/s1
InChIKeyLJUUVDKYGUALLA-ZLRZHCHESA-N
MW466.23 g/mol
LogP1.24
Rot. Bonds9

About CID 89009739

CID 89009739 (PubChem CID 89009739) has the molecular formula C18H32BO11P and a molecular weight of 466.23 g/mol.

Molecular Properties

Compound NameCID 89009739
PubChem CID89009739
Molecular FormulaC18H32BO11P
Molecular Weight466.23 g/mol
Exact Mass466.18
IUPAC Name—
SMILES[B]C1O[C@H](COP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)[C@@H](O)[C@@]1(C)O
InChIInChI=1S/C18H32BO11P/c1-16(2,3)14(21)25-9-28-31(24,29-10-26-15(22)17(4,5)6)27-8-11-12(20)18(7,23)13(19)30-11/h11-13,20,23H,8-10H2,1-7H3/t11-,12-,13?,18-/m1/s1
InChIKeyLJUUVDKYGUALLA-ZLRZHCHESA-N
XLogP1.24
TPSA147.05 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.23
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 89009739?
The IUPAC name of CID 89009739 (CID 89009739) is not available.
What is the SMILES notation for CID 89009739?
The canonical SMILES for CID 89009739 is [B]C1O[C@H](COP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)[C@@H](O)[C@@]1(C)O.
What is the InChIKey of CID 89009739?
The InChIKey is LJUUVDKYGUALLA-ZLRZHCHESA-N. The full InChI is InChI=1S/C18H32BO11P/c1-16(2,3)14(21)25-9-28-31(24,29-10-26-15(22)17(4,5)6)27-8-11-12(20)18(7,23)13(19)30-11/h11-13,20,23H,8-10H2,1-7H3/t11-,12-,13?,18-/m1/s1.
What are the key properties of CID 89009739?
CID 89009739 has a molecular weight of 466.23 g/mol, XLogP of 1.24, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89009739 is sourced from PubChem (CID 89009739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).