bis[[(2S)-2-amino-3-hydroxypropanoyl]oxy]-oxophosphanium

C6H12N2O7P+ — CID 174588325

IUPACbis[[(2S)-2-amino-3-hydroxypropanoyl]oxy]-oxophosphanium
SMILESN[C@@H](CO)C(=O)O[P+](=O)OC(=O)[C@@H](N)CO
InChIInChI=1S/C6H12N2O7P/c7-3(1-9)5(11)14-16(13)15-6(12)4(8)2-10/h3-4,9-10H,1-2,7-8H2/q+1/t3-,4-/m0/s1
InChIKeySBNHNHXWEXGVIQ-IMJSIDKUSA-N
MW255.14 g/mol
LogP-2.63
Rot. Bonds6

About bis[[(2S)-2-amino-3-hydroxypropanoyl]oxy]-oxophosphanium

bis[[(2S)-2-amino-3-hydroxypropanoyl]oxy]-oxophosphanium (PubChem CID 174588325) has the molecular formula C6H12N2O7P+ and a molecular weight of 255.14 g/mol. Its IUPAC name is bis[[(2S)-2-amino-3-hydroxypropanoyl]oxy]-oxophosphanium.

Molecular Properties

Compound Namebis[[(2S)-2-amino-3-hydroxypropanoyl]oxy]-oxophosphanium
PubChem CID174588325
Molecular FormulaC6H12N2O7P+
Molecular Weight255.14 g/mol
Exact Mass255.04
IUPAC Namebis[[(2S)-2-amino-3-hydroxypropanoyl]oxy]-oxophosphanium
SMILESN[C@@H](CO)C(=O)O[P+](=O)OC(=O)[C@@H](N)CO
InChIInChI=1S/C6H12N2O7P/c7-3(1-9)5(11)14-16(13)15-6(12)4(8)2-10/h3-4,9-10H,1-2,7-8H2/q+1/t3-,4-/m0/s1
InChIKeySBNHNHXWEXGVIQ-IMJSIDKUSA-N
XLogP-2.63
TPSA162.17 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.14
LogP ≤ 5-2.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

bis[[(2S)-2-amino-5-ethoxy-5-oxopentanoyl]oxy]-oxophosphanium
CID 175609456
methyl (2S)-2-amino-3-hydroxypropanoate
CID 2723731
phosphanyl (2S)-2-amino-3-hydroxypropanoate
CID 174799814
2-hydroxyethyl (2S)-2-amino-3-hydroxypropanoate
CID 174781046
methyl 2-amino-3-hydroxypropanoate;hydrochloride
CID 517373
disodium;bis[[(2S)-2-amino-5-ethoxy-5-oxopentanoyl]oxy]-oxophosphanium;hydride
CID 175609455
(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid
CID 71309922
propyl (2R)-2-amino-3-hydroxypropanoate
CID 55281348
[(2S)-2-amino-3-hydroxypropanoyl]oxysulfinyl (2S)-2-amino-3-hydroxypropanoate;azane
CID 175565724
(2R)-2-amino-1-hydroxypentan-3-one
CID 146364996
(3R)-3-amino-4-hydroxy-1-sulfanylbutan-2-one
CID 174592431
2-hydroxypropanoyl (2R)-2-amino-3-hydroxypropanoate
CID 118649421

Frequently Asked Questions

What is the IUPAC name of bis[[(2S)-2-amino-3-hydroxypropanoyl]oxy]-oxophosphanium?
The IUPAC name of bis[[(2S)-2-amino-3-hydroxypropanoyl]oxy]-oxophosphanium (CID 174588325) is bis[[(2S)-2-amino-3-hydroxypropanoyl]oxy]-oxophosphanium.
What is the SMILES notation for bis[[(2S)-2-amino-3-hydroxypropanoyl]oxy]-oxophosphanium?
The canonical SMILES for bis[[(2S)-2-amino-3-hydroxypropanoyl]oxy]-oxophosphanium is N[C@@H](CO)C(=O)O[P+](=O)OC(=O)[C@@H](N)CO.
What is the InChIKey of bis[[(2S)-2-amino-3-hydroxypropanoyl]oxy]-oxophosphanium?
The InChIKey is SBNHNHXWEXGVIQ-IMJSIDKUSA-N. The full InChI is InChI=1S/C6H12N2O7P/c7-3(1-9)5(11)14-16(13)15-6(12)4(8)2-10/h3-4,9-10H,1-2,7-8H2/q+1/t3-,4-/m0/s1.
What are the key properties of bis[[(2S)-2-amino-3-hydroxypropanoyl]oxy]-oxophosphanium?
bis[[(2S)-2-amino-3-hydroxypropanoyl]oxy]-oxophosphanium has a molecular weight of 255.14 g/mol, XLogP of -2.63, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[(2S)-2-amino-3-hydroxypropanoyl]oxy]-oxophosphanium is sourced from PubChem (CID 174588325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).