2-amino-2-(hydroxymethyl)propane-1,3-diol;2-ethylhexoxy-hydroxy-oxophosphanium

C12H29NO6P+ — CID 87433406

IUPAC2-amino-2-(hydroxymethyl)propane-1,3-diol;2-ethylhexoxy-hydroxy-oxophosphanium
SMILESCCCCC(CC)CO[P+](=O)O.NC(CO)(CO)CO
InChIInChI=1S/C8H17O3P.C4H11NO3/c1-3-5-6-8(4-2)7-11-12(9)10;5-4(1-6,2-7)3-8/h8H,3-7H2,1-2H3;6-8H,1-3,5H2/p+1
InChIKeyXNVMAPXWIWJXHX-UHFFFAOYSA-O
MW314.34 g/mol
LogP0.53
Rot. Bonds10

About 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-ethylhexoxy-hydroxy-oxophosphanium

2-amino-2-(hydroxymethyl)propane-1,3-diol;2-ethylhexoxy-hydroxy-oxophosphanium (PubChem CID 87433406) has the molecular formula C12H29NO6P+ and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-ethylhexoxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name2-amino-2-(hydroxymethyl)propane-1,3-diol;2-ethylhexoxy-hydroxy-oxophosphanium
PubChem CID87433406
Molecular FormulaC12H29NO6P+
Molecular Weight314.34 g/mol
Exact Mass314.17
IUPAC Name2-amino-2-(hydroxymethyl)propane-1,3-diol;2-ethylhexoxy-hydroxy-oxophosphanium
SMILESCCCCC(CC)CO[P+](=O)O.NC(CO)(CO)CO
InChIInChI=1S/C8H17O3P.C4H11NO3/c1-3-5-6-8(4-2)7-11-12(9)10;5-4(1-6,2-7)3-8/h8H,3-7H2,1-2H3;6-8H,1-3,5H2/p+1
InChIKeyXNVMAPXWIWJXHX-UHFFFAOYSA-O
XLogP0.53
TPSA133.24 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 50.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-2-ethylhexoxy]-[(2R)-2-ethylhexoxy]-oxophosphanium
CID 93476742
dihydroxy(oxo)phosphanium;3-ethylheptane
CID 88713628
2-ethylhexoxy-oxo-propan-2-yloxyphosphanium
CID 151079178
2-ethylhexoxy-(3-methylheptan-3-yl)-oxophosphanium
CID 87593586
2-ethylhexyl 2-amino-2-methylbutanoate
CID 79799240
2-ethylhexoxymethanol
CID 18783221
2-ethylhexyl-hydroxy-oxophosphanium
CID 22002161
[(2R)-2-ethylhexoxy]carbonyloxy [(2S)-2-ethylhexyl] carbonate
CID 94863795
1-O-[(2S)-2-ethylhexyl] 4-O-[(2R)-2-ethylhexyl] (E)-but-2-enedioate
CID 42587879
2-ethylhexyl 3-hydroxy-2-oxopropanoate
CID 123564601
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propan-1-ol
CID 64803573

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-ethylhexoxy-hydroxy-oxophosphanium?
The IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-ethylhexoxy-hydroxy-oxophosphanium (CID 87433406) is 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-ethylhexoxy-hydroxy-oxophosphanium.
What is the SMILES notation for 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-ethylhexoxy-hydroxy-oxophosphanium?
The canonical SMILES for 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-ethylhexoxy-hydroxy-oxophosphanium is CCCCC(CC)CO[P+](=O)O.NC(CO)(CO)CO.
What is the InChIKey of 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-ethylhexoxy-hydroxy-oxophosphanium?
The InChIKey is XNVMAPXWIWJXHX-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H17O3P.C4H11NO3/c1-3-5-6-8(4-2)7-11-12(9)10;5-4(1-6,2-7)3-8/h8H,3-7H2,1-2H3;6-8H,1-3,5H2/p+1.
What are the key properties of 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-ethylhexoxy-hydroxy-oxophosphanium?
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-ethylhexoxy-hydroxy-oxophosphanium has a molecular weight of 314.34 g/mol, XLogP of 0.53, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-ethylhexoxy-hydroxy-oxophosphanium is sourced from PubChem (CID 87433406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).