CID 91304105

C17H20O6P2 — CID 91304105

IUPAC—
SMILESO=P(=O)CC(O)CP(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H20O6P2/c18-17(13-24(19)20)14-25(21,22-11-15-7-3-1-4-8-15)23-12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKeyUPNRWMZNZHXFFF-UHFFFAOYSA-N
MW382.29 g/mol
LogP4.15
Rot. Bonds10

About CID 91304105

CID 91304105 (PubChem CID 91304105) has the molecular formula C17H20O6P2 and a molecular weight of 382.29 g/mol.

Molecular Properties

Compound NameCID 91304105
PubChem CID91304105
Molecular FormulaC17H20O6P2
Molecular Weight382.29 g/mol
Exact Mass382.07
IUPAC Name—
SMILESO=P(=O)CC(O)CP(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H20O6P2/c18-17(13-24(19)20)14-25(21,22-11-15-7-3-1-4-8-15)23-12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKeyUPNRWMZNZHXFFF-UHFFFAOYSA-N
XLogP4.15
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.29
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-3-azido-1-bis(phenylmethoxy)phosphorylbutan-2-ol
CID 11326318
dibenzyl [hydroxy(phenylmethoxy)methyl] phosphate
CID 167070961
3-bis(phenylmethoxy)phosphorylpropanoic acid
CID 46223844
[benzyl(chloromethoxy)phosphoryl]oxymethylbenzene
CID 57149072
1-bis(phenylmethoxy)phosphorylpropan-2-one
CID 176899401
benzyl bis(2,3-dihydroxypropyl) phosphate
CID 71386404
dibenzyl hydrogen phosphate;silver
CID 85301331
[2,12-dimethyltridecyl(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 54092599
benzyl 2-bis(phenylmethoxy)phosphorylacetate
CID 87986424
[phenylmethoxy(propan-2-yloxymethyl)phosphoryl]oxymethylbenzene
CID 59131511
4-bis(phenylmethoxy)phosphorylbutan-1-ol
CID 170700837
benzyl tert-butyl hydrogen phosphate
CID 140989025

Frequently Asked Questions

What is the IUPAC name of CID 91304105?
The IUPAC name of CID 91304105 (CID 91304105) is not available.
What is the SMILES notation for CID 91304105?
The canonical SMILES for CID 91304105 is O=P(=O)CC(O)CP(=O)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of CID 91304105?
The InChIKey is UPNRWMZNZHXFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O6P2/c18-17(13-24(19)20)14-25(21,22-11-15-7-3-1-4-8-15)23-12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2.
What are the key properties of CID 91304105?
CID 91304105 has a molecular weight of 382.29 g/mol, XLogP of 4.15, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91304105 is sourced from PubChem (CID 91304105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).