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

C19H38NO7P — CID 67709823

IUPAC2-amino-2-(hydroxymethyl)propane-1,3-diol;nonyl dihydrogen phosphite;phenol
SMILESCCCCCCCCCOP(O)O.NC(CO)(CO)CO.Oc1ccccc1
InChIInChI=1S/C9H21O3P.C6H6O.C4H11NO3/c1-2-3-4-5-6-7-8-9-12-13(10)11;7-6-4-2-1-3-5-6;5-4(1-6,2-7)3-8/h10-11H,2-9H2,1H3;1-5,7H;6-8H,1-3,5H2
InChIKeyQUZQUHAIFLFGIN-UHFFFAOYSA-N
MW423.49 g/mol
LogP2.02
Rot. Bonds12

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

2-amino-2-(hydroxymethyl)propane-1,3-diol;nonyl dihydrogen phosphite;phenol (PubChem CID 67709823) has the molecular formula C19H38NO7P and a molecular weight of 423.49 g/mol. Its IUPAC name is 2-amino-2-(hydroxymethyl)propane-1,3-diol;nonyl dihydrogen phosphite;phenol.

Molecular Properties

Compound Name2-amino-2-(hydroxymethyl)propane-1,3-diol;nonyl dihydrogen phosphite;phenol
PubChem CID67709823
Molecular FormulaC19H38NO7P
Molecular Weight423.49 g/mol
Exact Mass423.24
IUPAC Name2-amino-2-(hydroxymethyl)propane-1,3-diol;nonyl dihydrogen phosphite;phenol
SMILESCCCCCCCCCOP(O)O.NC(CO)(CO)CO.Oc1ccccc1
InChIInChI=1S/C9H21O3P.C6H6O.C4H11NO3/c1-2-3-4-5-6-7-8-9-12-13(10)11;7-6-4-2-1-3-5-6;5-4(1-6,2-7)3-8/h10-11H,2-9H2,1H3;1-5,7H;6-8H,1-3,5H2
InChIKeyQUZQUHAIFLFGIN-UHFFFAOYSA-N
XLogP2.02
TPSA156.63 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.49
LogP ≤ 52.02
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

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

dodecyl dihydrogen phosphite;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 67253735
2,2-bis(hydroxymethyl)propane-1,3-diol;tetradecyl dihydrogen phosphite
CID 175158559
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-phenylethyl dihydrogen phosphite
CID 70583726
dodecane;phenol
CID 157210063
azane;ethane-1,2-diol;1-nonoxynonane;phenol
CID 70556399
azane;hexyl dihydrogen phosphite
CID 173357133
heptoxy(phenyl)phosphinous acid
CID 12959801
benzyl dodecyl hydrogen phosphite
CID 161198417
benzyl hexyl hydrogen phosphite
CID 174676176
pentyl dihydrogen phosphite;zinc
CID 88839337
hexadecan-1-amine;phenol
CID 175347138
phenol;trihexyl(tetradecyl)phosphanium
CID 139300494

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;nonyl dihydrogen phosphite;phenol?
The IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;nonyl dihydrogen phosphite;phenol (CID 67709823) is 2-amino-2-(hydroxymethyl)propane-1,3-diol;nonyl dihydrogen phosphite;phenol.
What is the SMILES notation for 2-amino-2-(hydroxymethyl)propane-1,3-diol;nonyl dihydrogen phosphite;phenol?
The canonical SMILES for 2-amino-2-(hydroxymethyl)propane-1,3-diol;nonyl dihydrogen phosphite;phenol is CCCCCCCCCOP(O)O.NC(CO)(CO)CO.Oc1ccccc1.
What is the InChIKey of 2-amino-2-(hydroxymethyl)propane-1,3-diol;nonyl dihydrogen phosphite;phenol?
The InChIKey is QUZQUHAIFLFGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21O3P.C6H6O.C4H11NO3/c1-2-3-4-5-6-7-8-9-12-13(10)11;7-6-4-2-1-3-5-6;5-4(1-6,2-7)3-8/h10-11H,2-9H2,1H3;1-5,7H;6-8H,1-3,5H2.
What are the key properties of 2-amino-2-(hydroxymethyl)propane-1,3-diol;nonyl dihydrogen phosphite;phenol?
2-amino-2-(hydroxymethyl)propane-1,3-diol;nonyl dihydrogen phosphite;phenol has a molecular weight of 423.49 g/mol, XLogP of 2.02, 12 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(hydroxymethyl)propane-1,3-diol;nonyl dihydrogen phosphite;phenol is sourced from PubChem (CID 67709823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).