CID 147619344

C8H13BIO7P — CID 147619344

IUPAC—
SMILES[B]C1OC(COI)C(O[P+](=O)[O-])C1OCCOC
InChIInChI=1S/C8H13BIO7P/c1-13-2-3-14-7-6(17-18(11)12)5(4-15-10)16-8(7)9/h5-8H,2-4H2,1H3
InChIKeyIHILVPCTWAEWTI-UHFFFAOYSA-N
MW389.88 g/mol
LogP-0.32
Rot. Bonds8

About CID 147619344

CID 147619344 (PubChem CID 147619344) has the molecular formula C8H13BIO7P and a molecular weight of 389.88 g/mol.

Molecular Properties

Compound NameCID 147619344
PubChem CID147619344
Molecular FormulaC8H13BIO7P
Molecular Weight389.88 g/mol
Exact Mass389.95
IUPAC Name—
SMILES[B]C1OC(COI)C(O[P+](=O)[O-])C1OCCOC
InChIInChI=1S/C8H13BIO7P/c1-13-2-3-14-7-6(17-18(11)12)5(4-15-10)16-8(7)9/h5-8H,2-4H2,1H3
InChIKeyIHILVPCTWAEWTI-UHFFFAOYSA-N
XLogP-0.32
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 147619344?
The IUPAC name of CID 147619344 (CID 147619344) is not available.
What is the SMILES notation for CID 147619344?
The canonical SMILES for CID 147619344 is [B]C1OC(COI)C(O[P+](=O)[O-])C1OCCOC.
What is the InChIKey of CID 147619344?
The InChIKey is IHILVPCTWAEWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BIO7P/c1-13-2-3-14-7-6(17-18(11)12)5(4-15-10)16-8(7)9/h5-8H,2-4H2,1H3.
What are the key properties of CID 147619344?
CID 147619344 has a molecular weight of 389.88 g/mol, XLogP of -0.32, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 147619344 is sourced from PubChem (CID 147619344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).