bis(phosphanyl)phosphanyl 6-(diphosphanylamino)-2-[[(2S)-3-methoxy-2-(methylamino)propanoyl]amino]hexanoate

C11H28N3O4P5 — CID 59101078

IUPACbis(phosphanyl)phosphanyl 6-(diphosphanylamino)-2-[[(2S)-3-methoxy-2-(methylamino)propanoyl]amino]hexanoate
SMILESCN[C@@H](COC)C(=O)NC(CCCCNPP)C(=O)OP(P)P
InChIInChI=1S/C11H28N3O4P5/c1-12-9(7-17-2)10(15)14-8(11(16)18-23(20)21)5-3-4-6-13-22-19/h8-9,12-13,22H,3-7,19-21H2,1-2H3,(H,14,15)/t8?,9-/m0/s1
InChIKeyVKOXNMNZYSDTGY-GKAPJAKFSA-N
MW421.23 g/mol
LogP1.37
Rot. Bonds13

About bis(phosphanyl)phosphanyl 6-(diphosphanylamino)-2-[[(2S)-3-methoxy-2-(methylamino)propanoyl]amino]hexanoate

bis(phosphanyl)phosphanyl 6-(diphosphanylamino)-2-[[(2S)-3-methoxy-2-(methylamino)propanoyl]amino]hexanoate (PubChem CID 59101078) has the molecular formula C11H28N3O4P5 and a molecular weight of 421.23 g/mol. Its IUPAC name is bis(phosphanyl)phosphanyl 6-(diphosphanylamino)-2-[[(2S)-3-methoxy-2-(methylamino)propanoyl]amino]hexanoate.

Molecular Properties

Compound Namebis(phosphanyl)phosphanyl 6-(diphosphanylamino)-2-[[(2S)-3-methoxy-2-(methylamino)propanoyl]amino]hexanoate
PubChem CID59101078
Molecular FormulaC11H28N3O4P5
Molecular Weight421.23 g/mol
Exact Mass421.08
IUPAC Namebis(phosphanyl)phosphanyl 6-(diphosphanylamino)-2-[[(2S)-3-methoxy-2-(methylamino)propanoyl]amino]hexanoate
SMILESCN[C@@H](COC)C(=O)NC(CCCCNPP)C(=O)OP(P)P
InChIInChI=1S/C11H28N3O4P5/c1-12-9(7-17-2)10(15)14-8(11(16)18-23(20)21)5-3-4-6-13-22-19/h8-9,12-13,22H,3-7,19-21H2,1-2H3,(H,14,15)/t8?,9-/m0/s1
InChIKeyVKOXNMNZYSDTGY-GKAPJAKFSA-N
XLogP1.37
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.23
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2,6-bis(methylamino)hexanoylamino]-9,13-bis(methylamino)-8-oxotridecanoate
CID 157301898
(2S)-N-[(5S)-6-amino-5-[[(2S)-2,6-bis(methylamino)hexanoyl]amino]-6-oxohexyl]-2,6-bis(methylamino)hexanamide;(2S)-2,6-bis(methylamino)hexanamide
CID 160758777
6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanamide
CID 89335377
methanamine;2-[[6-(methylamino)-2-[2-(methylamino)hexanoylamino]hexanoyl]amino]heptanamide
CID 170598010
(2S)-2-[[(2S)-3-methoxy-2-(methylamino)propanoyl]amino]-3-(prop-1-enylamino)-N-tritiopropanamide
CID 59170551
(2S)-6-amino-N-[(5S)-5-[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-(ethylamino)-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]-2-(methylamino)hexanamide
CID 167681648
methyl 6-acetamido-2-(methylamino)hexanoate
CID 78438016
2-methoxy-N-[5-(methylamino)-6-oxoheptyl]acetamide
CID 159874628
(3R)-3,7-bis(methylamino)heptan-2-one
CID 91227284
methyl (2S)-2-(methylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 122173697
tert-butyl 2,6-bis(methylamino)hexanoate
CID 59397454
2-[2,6-bis(methylamino)hexanoylamino]hexanoic acid;ethane
CID 142905874

Frequently Asked Questions

What is the IUPAC name of bis(phosphanyl)phosphanyl 6-(diphosphanylamino)-2-[[(2S)-3-methoxy-2-(methylamino)propanoyl]amino]hexanoate?
The IUPAC name of bis(phosphanyl)phosphanyl 6-(diphosphanylamino)-2-[[(2S)-3-methoxy-2-(methylamino)propanoyl]amino]hexanoate (CID 59101078) is bis(phosphanyl)phosphanyl 6-(diphosphanylamino)-2-[[(2S)-3-methoxy-2-(methylamino)propanoyl]amino]hexanoate.
What is the SMILES notation for bis(phosphanyl)phosphanyl 6-(diphosphanylamino)-2-[[(2S)-3-methoxy-2-(methylamino)propanoyl]amino]hexanoate?
The canonical SMILES for bis(phosphanyl)phosphanyl 6-(diphosphanylamino)-2-[[(2S)-3-methoxy-2-(methylamino)propanoyl]amino]hexanoate is CN[C@@H](COC)C(=O)NC(CCCCNPP)C(=O)OP(P)P.
What is the InChIKey of bis(phosphanyl)phosphanyl 6-(diphosphanylamino)-2-[[(2S)-3-methoxy-2-(methylamino)propanoyl]amino]hexanoate?
The InChIKey is VKOXNMNZYSDTGY-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H28N3O4P5/c1-12-9(7-17-2)10(15)14-8(11(16)18-23(20)21)5-3-4-6-13-22-19/h8-9,12-13,22H,3-7,19-21H2,1-2H3,(H,14,15)/t8?,9-/m0/s1.
What are the key properties of bis(phosphanyl)phosphanyl 6-(diphosphanylamino)-2-[[(2S)-3-methoxy-2-(methylamino)propanoyl]amino]hexanoate?
bis(phosphanyl)phosphanyl 6-(diphosphanylamino)-2-[[(2S)-3-methoxy-2-(methylamino)propanoyl]amino]hexanoate has a molecular weight of 421.23 g/mol, XLogP of 1.37, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(phosphanyl)phosphanyl 6-(diphosphanylamino)-2-[[(2S)-3-methoxy-2-(methylamino)propanoyl]amino]hexanoate is sourced from PubChem (CID 59101078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).