(2S)-3-[1-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]imidazol-4-yl]-2-(methylamino)propanoic acid

C7H19N3O2P8 — CID 118521128

IUPAC(2S)-3-[1-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]imidazol-4-yl]-2-(methylamino)propanoic acid
SMILESCN[C@@H](Cc1cn(P(P(P)P)P(P)PP)cn1)C(=O)O
InChIInChI=1S/C7H19N3O2P8/c1-8-6(7(11)12)2-5-3-10(4-9-5)18(19(14)15)20(16)17-13/h3-4,6,8,17H,2,13-16H2,1H3,(H,11,12)/t6-,18?,20?/m0/s1
InChIKeyWEPWIKCCLNGPMV-AIMFKRQVSA-N
MW425.04 g/mol
LogP3.89
Rot. Bonds8

About (2S)-3-[1-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]imidazol-4-yl]-2-(methylamino)propanoic acid

(2S)-3-[1-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]imidazol-4-yl]-2-(methylamino)propanoic acid (PubChem CID 118521128) has the molecular formula C7H19N3O2P8 and a molecular weight of 425.04 g/mol. Its IUPAC name is (2S)-3-[1-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]imidazol-4-yl]-2-(methylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-3-[1-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]imidazol-4-yl]-2-(methylamino)propanoic acid
PubChem CID118521128
Molecular FormulaC7H19N3O2P8
Molecular Weight425.04 g/mol
Exact Mass424.94
IUPAC Name(2S)-3-[1-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]imidazol-4-yl]-2-(methylamino)propanoic acid
SMILESCN[C@@H](Cc1cn(P(P(P)P)P(P)PP)cn1)C(=O)O
InChIInChI=1S/C7H19N3O2P8/c1-8-6(7(11)12)2-5-3-10(4-9-5)18(19(14)15)20(16)17-13/h3-4,6,8,17H,2,13-16H2,1H3,(H,11,12)/t6-,18?,20?/m0/s1
InChIKeyWEPWIKCCLNGPMV-AIMFKRQVSA-N
XLogP3.89
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.04
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-[1-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]imidazol-4-yl]-2-(methylamino)propanoic acid?
The IUPAC name of (2S)-3-[1-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]imidazol-4-yl]-2-(methylamino)propanoic acid (CID 118521128) is (2S)-3-[1-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]imidazol-4-yl]-2-(methylamino)propanoic acid.
What is the SMILES notation for (2S)-3-[1-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]imidazol-4-yl]-2-(methylamino)propanoic acid?
The canonical SMILES for (2S)-3-[1-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]imidazol-4-yl]-2-(methylamino)propanoic acid is CN[C@@H](Cc1cn(P(P(P)P)P(P)PP)cn1)C(=O)O.
What is the InChIKey of (2S)-3-[1-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]imidazol-4-yl]-2-(methylamino)propanoic acid?
The InChIKey is WEPWIKCCLNGPMV-AIMFKRQVSA-N. The full InChI is InChI=1S/C7H19N3O2P8/c1-8-6(7(11)12)2-5-3-10(4-9-5)18(19(14)15)20(16)17-13/h3-4,6,8,17H,2,13-16H2,1H3,(H,11,12)/t6-,18?,20?/m0/s1.
What are the key properties of (2S)-3-[1-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]imidazol-4-yl]-2-(methylamino)propanoic acid?
(2S)-3-[1-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]imidazol-4-yl]-2-(methylamino)propanoic acid has a molecular weight of 425.04 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[1-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]imidazol-4-yl]-2-(methylamino)propanoic acid is sourced from PubChem (CID 118521128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).