2-amino-2-(hydroxymethyl)propane-1,3-diol;2-phenylethyl dihydrogen phosphite

C12H22NO6P — CID 70583726

IUPAC2-amino-2-(hydroxymethyl)propane-1,3-diol;2-phenylethyl dihydrogen phosphite
SMILESNC(CO)(CO)CO.OP(O)OCCc1ccccc1
InChIInChI=1S/C8H11O3P.C4H11NO3/c9-12(10)11-7-6-8-4-2-1-3-5-8;5-4(1-6,2-7)3-8/h1-5,9-10H,6-7H2;6-8H,1-3,5H2
InChIKeyNMTDBUVXDKHKJZ-UHFFFAOYSA-N
MW307.28 g/mol
LogP-0.88
Rot. Bonds7

About 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-phenylethyl dihydrogen phosphite

2-amino-2-(hydroxymethyl)propane-1,3-diol;2-phenylethyl dihydrogen phosphite (PubChem CID 70583726) has the molecular formula C12H22NO6P and a molecular weight of 307.28 g/mol. Its IUPAC name is 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-phenylethyl dihydrogen phosphite.

Molecular Properties

Compound Name2-amino-2-(hydroxymethyl)propane-1,3-diol;2-phenylethyl dihydrogen phosphite
PubChem CID70583726
Molecular FormulaC12H22NO6P
Molecular Weight307.28 g/mol
Exact Mass307.12
IUPAC Name2-amino-2-(hydroxymethyl)propane-1,3-diol;2-phenylethyl dihydrogen phosphite
SMILESNC(CO)(CO)CO.OP(O)OCCc1ccccc1
InChIInChI=1S/C8H11O3P.C4H11NO3/c9-12(10)11-7-6-8-4-2-1-3-5-8;5-4(1-6,2-7)3-8/h1-5,9-10H,6-7H2;6-8H,1-3,5H2
InChIKeyNMTDBUVXDKHKJZ-UHFFFAOYSA-N
XLogP-0.88
TPSA136.40 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.28
LogP ≤ 5-0.88
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-(hydroxymethyl)propane-1,3-diol;nonyl dihydrogen phosphite;phenol
CID 67709823
dimethyl(2-phenylethoxy)phosphane
CID 141159269
benzyl-bis(2-phenylethoxy)phosphane
CID 141159288
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-[benzyl(2-hydroxyethyl)amino]ethanol
CID 158603014
(2S)-2-amino-2-(phenylmethoxymethyl)pent-4-en-1-ol
CID 102246332
CID 58731637
CID 58731637
1,1-diamino-3-phenylpropane-1-thiol
CID 139890892
2-phenylethyl bis(trimethylsilyl) phosphite
CID 135071839
2-phenylethyl acetate
CID 7654
2-amino-2-(hydroxymethyl)propane-1,3-diol;4-phenylaniline
CID 69498247
2-amino-2-methyl-3-(2-phenylethoxy)propanoic acid
CID 114987450
2-amino-3-(2-phenylethoxy)propan-1-ol
CID 77236117

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-phenylethyl dihydrogen phosphite?
The IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-phenylethyl dihydrogen phosphite (CID 70583726) is 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-phenylethyl dihydrogen phosphite.
What is the SMILES notation for 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-phenylethyl dihydrogen phosphite?
The canonical SMILES for 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-phenylethyl dihydrogen phosphite is NC(CO)(CO)CO.OP(O)OCCc1ccccc1.
What is the InChIKey of 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-phenylethyl dihydrogen phosphite?
The InChIKey is NMTDBUVXDKHKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O3P.C4H11NO3/c9-12(10)11-7-6-8-4-2-1-3-5-8;5-4(1-6,2-7)3-8/h1-5,9-10H,6-7H2;6-8H,1-3,5H2.
What are the key properties of 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-phenylethyl dihydrogen phosphite?
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-phenylethyl dihydrogen phosphite has a molecular weight of 307.28 g/mol, XLogP of -0.88, 7 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-phenylethyl dihydrogen phosphite is sourced from PubChem (CID 70583726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).