[amino(phosphono)methyl]-trihydroxyphosphanium

CH8NO6P2+ — CID 89151684

IUPAC[amino(phosphono)methyl]-trihydroxyphosphanium
SMILESNC(P(=O)(O)O)[P+](O)(O)O
InChIInChI=1S/CH7NO6P2/c2-1(9(3,4)5)10(6,7)8/h1,3-5H,2H2,(H-,6,7,8)/p+1
InChIKeySTCYPTIEUIPIRV-UHFFFAOYSA-O
MW192.02 g/mol
LogP-1.85
Rot. Bonds2

About [amino(phosphono)methyl]-trihydroxyphosphanium

[amino(phosphono)methyl]-trihydroxyphosphanium (PubChem CID 89151684) has the molecular formula CH8NO6P2+ and a molecular weight of 192.02 g/mol. Its IUPAC name is [amino(phosphono)methyl]-trihydroxyphosphanium.

Molecular Properties

Compound Name[amino(phosphono)methyl]-trihydroxyphosphanium
PubChem CID89151684
Molecular FormulaCH8NO6P2+
Molecular Weight192.02 g/mol
Exact Mass191.98
IUPAC Name[amino(phosphono)methyl]-trihydroxyphosphanium
SMILESNC(P(=O)(O)O)[P+](O)(O)O
InChIInChI=1S/CH7NO6P2/c2-1(9(3,4)5)10(6,7)8/h1,3-5H,2H2,(H-,6,7,8)/p+1
InChIKeySTCYPTIEUIPIRV-UHFFFAOYSA-O
XLogP-1.85
TPSA144.24 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500192.02
LogP ≤ 5-1.85
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dihydroxymethylphosphonic acid
CID 13034651
[(1R)-1-aminoethyl]phosphonic acid;hydrochloride
CID 88516256
(3-amino-3-hydroxypropyl)phosphonic acid
CID 57001099
2-amino-2-phosphonoacetic acid
CID 14104870
(4-amino-4-hydroxy-1-phosphonobutyl)phosphonic acid
CID 57297515
(1,5-dihydroxy-2,3,4-trioxo-5-phosphonopentyl)phosphonic acid
CID 91125864
2-hydroxy-2-phosphonoacetate
CID 23615312
hydrazine;(1-hydroxy-2-phosphonoethyl)phosphonic acid
CID 158563250
[(2R)-2-aminopropyl]phosphonic acid
CID 92524852
[(1S)-1-aminopropyl]phosphonic acid
CID 6994862
[(1S)-1-amino-3-hydroxypentyl]phosphonic acid
CID 15348708
1-aminopropan-1-ol;butane;phosphoric acid
CID 87838613

Frequently Asked Questions

What is the IUPAC name of [amino(phosphono)methyl]-trihydroxyphosphanium?
The IUPAC name of [amino(phosphono)methyl]-trihydroxyphosphanium (CID 89151684) is [amino(phosphono)methyl]-trihydroxyphosphanium.
What is the SMILES notation for [amino(phosphono)methyl]-trihydroxyphosphanium?
The canonical SMILES for [amino(phosphono)methyl]-trihydroxyphosphanium is NC(P(=O)(O)O)[P+](O)(O)O.
What is the InChIKey of [amino(phosphono)methyl]-trihydroxyphosphanium?
The InChIKey is STCYPTIEUIPIRV-UHFFFAOYSA-O. The full InChI is InChI=1S/CH7NO6P2/c2-1(9(3,4)5)10(6,7)8/h1,3-5H,2H2,(H-,6,7,8)/p+1.
What are the key properties of [amino(phosphono)methyl]-trihydroxyphosphanium?
[amino(phosphono)methyl]-trihydroxyphosphanium has a molecular weight of 192.02 g/mol, XLogP of -1.85, 2 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(phosphono)methyl]-trihydroxyphosphanium is sourced from PubChem (CID 89151684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).