[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]imino-(9H-fluoren-9-ylmethoxycarbonyl)-oxidophosphanium

C24H20NO6P — CID 175830233

IUPAC[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]imino-(9H-fluoren-9-ylmethoxycarbonyl)-oxidophosphanium
SMILESO=C(O)[C@H](Cc1ccc(O)cc1)/N=[P+](\[O-])C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H20NO6P/c26-16-11-9-15(10-12-16)13-22(23(27)28)25-32(30)24(29)31-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22,26H,13-14H2,(H,27,28)/t22-/m0/s1
InChIKeySBOXCJSXZNSSCE-QFIPXVFZSA-N
MW449.40 g/mol
LogP4.28
Rot. Bonds7

About [(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]imino-(9H-fluoren-9-ylmethoxycarbonyl)-oxidophosphanium

[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]imino-(9H-fluoren-9-ylmethoxycarbonyl)-oxidophosphanium (PubChem CID 175830233) has the molecular formula C24H20NO6P and a molecular weight of 449.40 g/mol. Its IUPAC name is [(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]imino-(9H-fluoren-9-ylmethoxycarbonyl)-oxidophosphanium.

Molecular Properties

Compound Name[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]imino-(9H-fluoren-9-ylmethoxycarbonyl)-oxidophosphanium
PubChem CID175830233
Molecular FormulaC24H20NO6P
Molecular Weight449.40 g/mol
Exact Mass449.10
IUPAC Name[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]imino-(9H-fluoren-9-ylmethoxycarbonyl)-oxidophosphanium
SMILESO=C(O)[C@H](Cc1ccc(O)cc1)/N=[P+](\[O-])C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H20NO6P/c26-16-11-9-15(10-12-16)13-22(23(27)28)25-32(30)24(29)31-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22,26H,13-14H2,(H,27,28)/t22-/m0/s1
InChIKeySBOXCJSXZNSSCE-QFIPXVFZSA-N
XLogP4.28
TPSA119.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.40
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]imino-(9H-fluoren-9-ylmethoxycarbonyl)-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

(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-(4-hydroxyphenyl)phenyl]propanoic acid
CID 68763814
(2R)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 175915425
[4-[2-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]phenyl] sulfate
CID 171158588
(4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(4-hydroxyphenyl)-2-methylidene-3-oxopentanoic acid
CID 67019264
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-fluorosulfonyloxyphenyl)propanoic acid
CID 118566779
2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-2-methylpropanoic acid
CID 171366002
3-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-4-(4-iodophenyl)butanoic acid
CID 53444975
(2S)-3-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-4-(4-fluorophenyl)butanoic acid
CID 56923916
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-phenyldiazenylphenyl)propanoic acid
CID 15838972
(2R)-2-[(4-benzoylphenyl)methyl]-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid
CID 161419154
2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 73090543
disodium;(2S)-2-[[9H-fluoren-9-ylmethoxy(oxido)methylidene]amino]-3-[4-[hydroxy(phenylmethoxy)phosphoryl]carbonylphenyl]propanoate
CID 102591455

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]imino-(9H-fluoren-9-ylmethoxycarbonyl)-oxidophosphanium?
The IUPAC name of [(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]imino-(9H-fluoren-9-ylmethoxycarbonyl)-oxidophosphanium (CID 175830233) is [(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]imino-(9H-fluoren-9-ylmethoxycarbonyl)-oxidophosphanium.
What is the SMILES notation for [(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]imino-(9H-fluoren-9-ylmethoxycarbonyl)-oxidophosphanium?
The canonical SMILES for [(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]imino-(9H-fluoren-9-ylmethoxycarbonyl)-oxidophosphanium is O=C(O)[C@H](Cc1ccc(O)cc1)/N=[P+](\[O-])C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of [(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]imino-(9H-fluoren-9-ylmethoxycarbonyl)-oxidophosphanium?
The InChIKey is SBOXCJSXZNSSCE-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H20NO6P/c26-16-11-9-15(10-12-16)13-22(23(27)28)25-32(30)24(29)31-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22,26H,13-14H2,(H,27,28)/t22-/m0/s1.
What are the key properties of [(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]imino-(9H-fluoren-9-ylmethoxycarbonyl)-oxidophosphanium?
[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]imino-(9H-fluoren-9-ylmethoxycarbonyl)-oxidophosphanium has a molecular weight of 449.40 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]imino-(9H-fluoren-9-ylmethoxycarbonyl)-oxidophosphanium is sourced from PubChem (CID 175830233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).