[ethoxy-[3-[ethoxy-[hydroxy(oxido)phosphaniumylidene]methyl]-5-[[ethoxy(hydroxy)phosphoryl]methyl]phenyl]methylidene]-hydroxy-oxidophosphanium

C15H23O9P3 — CID 140507553

IUPAC[ethoxy-[3-[ethoxy-[hydroxy(oxido)phosphaniumylidene]methyl]-5-[[ethoxy(hydroxy)phosphoryl]methyl]phenyl]methylidene]-hydroxy-oxidophosphanium
SMILESCCOC(c1cc(CP(=O)(O)OCC)cc(C(OCC)=[P+]([O-])O)c1)=[P+]([O-])O
InChIInChI=1S/C15H23O9P3/c1-4-22-14(25(16)17)12-7-11(10-27(20,21)24-6-3)8-13(9-12)15(23-5-2)26(18)19/h7-9H,4-6,10H2,1-3H3,(H,16,17)(H,18,19)(H,20,21)
InChIKeyCBSKTNVWTMMHOJ-UHFFFAOYSA-N
MW440.26 g/mol
LogP0.77
Rot. Bonds10

About [ethoxy-[3-[ethoxy-[hydroxy(oxido)phosphaniumylidene]methyl]-5-[[ethoxy(hydroxy)phosphoryl]methyl]phenyl]methylidene]-hydroxy-oxidophosphanium

[ethoxy-[3-[ethoxy-[hydroxy(oxido)phosphaniumylidene]methyl]-5-[[ethoxy(hydroxy)phosphoryl]methyl]phenyl]methylidene]-hydroxy-oxidophosphanium (PubChem CID 140507553) has the molecular formula C15H23O9P3 and a molecular weight of 440.26 g/mol. Its IUPAC name is [ethoxy-[3-[ethoxy-[hydroxy(oxido)phosphaniumylidene]methyl]-5-[[ethoxy(hydroxy)phosphoryl]methyl]phenyl]methylidene]-hydroxy-oxidophosphanium.

Molecular Properties

Compound Name[ethoxy-[3-[ethoxy-[hydroxy(oxido)phosphaniumylidene]methyl]-5-[[ethoxy(hydroxy)phosphoryl]methyl]phenyl]methylidene]-hydroxy-oxidophosphanium
PubChem CID140507553
Molecular FormulaC15H23O9P3
Molecular Weight440.26 g/mol
Exact Mass440.06
IUPAC Name[ethoxy-[3-[ethoxy-[hydroxy(oxido)phosphaniumylidene]methyl]-5-[[ethoxy(hydroxy)phosphoryl]methyl]phenyl]methylidene]-hydroxy-oxidophosphanium
SMILESCCOC(c1cc(CP(=O)(O)OCC)cc(C(OCC)=[P+]([O-])O)c1)=[P+]([O-])O
InChIInChI=1S/C15H23O9P3/c1-4-22-14(25(16)17)12-7-11(10-27(20,21)24-6-3)8-13(9-12)15(23-5-2)26(18)19/h7-9H,4-6,10H2,1-3H3,(H,16,17)(H,18,19)(H,20,21)
InChIKeyCBSKTNVWTMMHOJ-UHFFFAOYSA-N
XLogP0.77
TPSA151.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.26
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [ethoxy-[3-[ethoxy-[hydroxy(oxido)phosphaniumylidene]methyl]-5-[[ethoxy(hydroxy)phosphoryl]methyl]phenyl]methylidene]-hydroxy-oxidophosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3,5-bis[[ethoxy(hydroxy)phosphoryl]methyl]-2,4,6-trimethylphenyl]methyl-ethoxyphosphinic acid
CID 58708701
(3,5-dibutyl-4-hydroxyphenyl)methyl-ethoxyphosphinic acid
CID 56611232
4-[4-[[ethoxy(hydroxy)phosphoryl]methyl]phenyl]sulfonylbenzoic acid
CID 87175689
(3,5-ditert-butyl-4-hydroxyphenyl)methoxy-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phosphinic acid
CID 149251641
[4-[(4-butylphenyl)methyl]phenyl]methyl-ethoxyphosphinic acid
CID 87175618
CID 87274277
CID 87274277
ethoxy-(2-ethoxy-2-oxoethyl)phosphinic acid
CID 3613986
ethoxy-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]methyl]phosphinic acid
CID 87175840
ethoxy-[[4-[[4-(hydroxymethoxy)phenyl]methyl]phenyl]methyl]phosphinic acid
CID 87671559
ethoxy(methylaminomethyl)phosphinic acid
CID 88509213
alumane;ethyl dihydrogen phosphate
CID 173113989
alumane;tris(ethyl dihydrogen phosphate)
CID 173189565

Frequently Asked Questions

What is the IUPAC name of [ethoxy-[3-[ethoxy-[hydroxy(oxido)phosphaniumylidene]methyl]-5-[[ethoxy(hydroxy)phosphoryl]methyl]phenyl]methylidene]-hydroxy-oxidophosphanium?
The IUPAC name of [ethoxy-[3-[ethoxy-[hydroxy(oxido)phosphaniumylidene]methyl]-5-[[ethoxy(hydroxy)phosphoryl]methyl]phenyl]methylidene]-hydroxy-oxidophosphanium (CID 140507553) is [ethoxy-[3-[ethoxy-[hydroxy(oxido)phosphaniumylidene]methyl]-5-[[ethoxy(hydroxy)phosphoryl]methyl]phenyl]methylidene]-hydroxy-oxidophosphanium.
What is the SMILES notation for [ethoxy-[3-[ethoxy-[hydroxy(oxido)phosphaniumylidene]methyl]-5-[[ethoxy(hydroxy)phosphoryl]methyl]phenyl]methylidene]-hydroxy-oxidophosphanium?
The canonical SMILES for [ethoxy-[3-[ethoxy-[hydroxy(oxido)phosphaniumylidene]methyl]-5-[[ethoxy(hydroxy)phosphoryl]methyl]phenyl]methylidene]-hydroxy-oxidophosphanium is CCOC(c1cc(CP(=O)(O)OCC)cc(C(OCC)=[P+]([O-])O)c1)=[P+]([O-])O.
What is the InChIKey of [ethoxy-[3-[ethoxy-[hydroxy(oxido)phosphaniumylidene]methyl]-5-[[ethoxy(hydroxy)phosphoryl]methyl]phenyl]methylidene]-hydroxy-oxidophosphanium?
The InChIKey is CBSKTNVWTMMHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23O9P3/c1-4-22-14(25(16)17)12-7-11(10-27(20,21)24-6-3)8-13(9-12)15(23-5-2)26(18)19/h7-9H,4-6,10H2,1-3H3,(H,16,17)(H,18,19)(H,20,21).
What are the key properties of [ethoxy-[3-[ethoxy-[hydroxy(oxido)phosphaniumylidene]methyl]-5-[[ethoxy(hydroxy)phosphoryl]methyl]phenyl]methylidene]-hydroxy-oxidophosphanium?
[ethoxy-[3-[ethoxy-[hydroxy(oxido)phosphaniumylidene]methyl]-5-[[ethoxy(hydroxy)phosphoryl]methyl]phenyl]methylidene]-hydroxy-oxidophosphanium has a molecular weight of 440.26 g/mol, XLogP of 0.77, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy-[3-[ethoxy-[hydroxy(oxido)phosphaniumylidene]methyl]-5-[[ethoxy(hydroxy)phosphoryl]methyl]phenyl]methylidene]-hydroxy-oxidophosphanium is sourced from PubChem (CID 140507553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).