amino-[[(2S,4S,5S)-4,5,6-trihydroxyoxan-2-yl]methylamino]phosphinic acid

C6H15N2O6P — CID 167491375

IUPACamino-[[(2S,4S,5S)-4,5,6-trihydroxyoxan-2-yl]methylamino]phosphinic acid
SMILESNP(=O)(O)NC[C@@H]1C[C@H](O)[C@H](O)C(O)O1
InChIInChI=1S/C6H15N2O6P/c7-15(12,13)8-2-3-1-4(9)5(10)6(11)14-3/h3-6,9-11H,1-2H2,(H4,7,8,12,13)/t3-,4-,5-,6?/m0/s1
InChIKeyZXZKJCBCIOEDMZ-NNXAEHONSA-N
MW242.17 g/mol
LogP-2.54
Rot. Bonds3

About amino-[[(2S,4S,5S)-4,5,6-trihydroxyoxan-2-yl]methylamino]phosphinic acid

amino-[[(2S,4S,5S)-4,5,6-trihydroxyoxan-2-yl]methylamino]phosphinic acid (PubChem CID 167491375) has the molecular formula C6H15N2O6P and a molecular weight of 242.17 g/mol. Its IUPAC name is amino-[[(2S,4S,5S)-4,5,6-trihydroxyoxan-2-yl]methylamino]phosphinic acid.

Molecular Properties

Compound Nameamino-[[(2S,4S,5S)-4,5,6-trihydroxyoxan-2-yl]methylamino]phosphinic acid
PubChem CID167491375
Molecular FormulaC6H15N2O6P
Molecular Weight242.17 g/mol
Exact Mass242.07
IUPAC Nameamino-[[(2S,4S,5S)-4,5,6-trihydroxyoxan-2-yl]methylamino]phosphinic acid
SMILESNP(=O)(O)NC[C@@H]1C[C@H](O)[C@H](O)C(O)O1
InChIInChI=1S/C6H15N2O6P/c7-15(12,13)8-2-3-1-4(9)5(10)6(11)14-3/h3-6,9-11H,1-2H2,(H4,7,8,12,13)/t3-,4-,5-,6?/m0/s1
InChIKeyZXZKJCBCIOEDMZ-NNXAEHONSA-N
XLogP-2.54
TPSA145.27 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.17
LogP ≤ 5-2.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze amino-[[(2S,4S,5S)-4,5,6-trihydroxyoxan-2-yl]methylamino]phosphinic acid 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

oxane-2,3,4,6-tetrol
CID 123881821
(2S,4R,6R)-oxane-2,3,4,6-tetrol
CID 139552661
(2R,3R,4S,6S)-6-methyloxane-2,3,4-triol
CID 26966621
(2R,3R,4R,6R)-6-methyloxane-2,3,4-triol
CID 131039389
N-[[(2S,6R)-4-amino-5,6-dihydroxyoxan-2-yl]methyl]-1H-pyrazole-5-carboxamide
CID 122581520
2-[(2S,4R,5R)-4,5-dihydroxyoxolan-2-yl]acetic acid
CID 131034574
(3S,4S,6S)-2-amino-6-(hydroxymethyl)oxane-3,4-diol
CID 89318035
N-[[(2R,5S)-3-hydroxy-5-methyloxolan-2-yl]methyl]-[hydroxy(phosphonooxy)phosphoryl]oxyphosphonamidic acid
CID 59905577
(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;(2S,4R,5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol;phosphono dihydrogen phosphate
CID 158200555
[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxyphosphonamidic acid
CID 167491505
6-(2-hydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol
CID 123931534
(2S,3R,6S)-3-amino-6-[[(3-aminocyclobutyl)methylamino]methyl]oxan-2-ol
CID 67891619

Frequently Asked Questions

What is the IUPAC name of amino-[[(2S,4S,5S)-4,5,6-trihydroxyoxan-2-yl]methylamino]phosphinic acid?
The IUPAC name of amino-[[(2S,4S,5S)-4,5,6-trihydroxyoxan-2-yl]methylamino]phosphinic acid (CID 167491375) is amino-[[(2S,4S,5S)-4,5,6-trihydroxyoxan-2-yl]methylamino]phosphinic acid.
What is the SMILES notation for amino-[[(2S,4S,5S)-4,5,6-trihydroxyoxan-2-yl]methylamino]phosphinic acid?
The canonical SMILES for amino-[[(2S,4S,5S)-4,5,6-trihydroxyoxan-2-yl]methylamino]phosphinic acid is NP(=O)(O)NC[C@@H]1C[C@H](O)[C@H](O)C(O)O1.
What is the InChIKey of amino-[[(2S,4S,5S)-4,5,6-trihydroxyoxan-2-yl]methylamino]phosphinic acid?
The InChIKey is ZXZKJCBCIOEDMZ-NNXAEHONSA-N. The full InChI is InChI=1S/C6H15N2O6P/c7-15(12,13)8-2-3-1-4(9)5(10)6(11)14-3/h3-6,9-11H,1-2H2,(H4,7,8,12,13)/t3-,4-,5-,6?/m0/s1.
What are the key properties of amino-[[(2S,4S,5S)-4,5,6-trihydroxyoxan-2-yl]methylamino]phosphinic acid?
amino-[[(2S,4S,5S)-4,5,6-trihydroxyoxan-2-yl]methylamino]phosphinic acid has a molecular weight of 242.17 g/mol, XLogP of -2.54, 3 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[[(2S,4S,5S)-4,5,6-trihydroxyoxan-2-yl]methylamino]phosphinic acid is sourced from PubChem (CID 167491375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).