acetic acid;2-amino-2-(hydroxymethyl)propane-1,3-diol;(2,4,6-trimethoxyphenyl)phosphane

C15H28NO8P — CID 68986056

IUPACacetic acid;2-amino-2-(hydroxymethyl)propane-1,3-diol;(2,4,6-trimethoxyphenyl)phosphane
SMILESCC(=O)O.COc1cc(OC)c(P)c(OC)c1.NC(CO)(CO)CO
InChIInChI=1S/C9H13O3P.C4H11NO3.C2H4O2/c1-10-6-4-7(11-2)9(13)8(5-6)12-3;5-4(1-6,2-7)3-8;1-2(3)4/h4-5H,13H2,1-3H3;6-8H,1-3,5H2;1H3,(H,3,4)
InChIKeySBPHNSPKILHOET-UHFFFAOYSA-N
MW381.36 g/mol
LogP-1.04
Rot. Bonds6

About acetic acid;2-amino-2-(hydroxymethyl)propane-1,3-diol;(2,4,6-trimethoxyphenyl)phosphane

acetic acid;2-amino-2-(hydroxymethyl)propane-1,3-diol;(2,4,6-trimethoxyphenyl)phosphane (PubChem CID 68986056) has the molecular formula C15H28NO8P and a molecular weight of 381.36 g/mol. Its IUPAC name is acetic acid;2-amino-2-(hydroxymethyl)propane-1,3-diol;(2,4,6-trimethoxyphenyl)phosphane.

Molecular Properties

Compound Nameacetic acid;2-amino-2-(hydroxymethyl)propane-1,3-diol;(2,4,6-trimethoxyphenyl)phosphane
PubChem CID68986056
Molecular FormulaC15H28NO8P
Molecular Weight381.36 g/mol
Exact Mass381.16
IUPAC Nameacetic acid;2-amino-2-(hydroxymethyl)propane-1,3-diol;(2,4,6-trimethoxyphenyl)phosphane
SMILESCC(=O)O.COc1cc(OC)c(P)c(OC)c1.NC(CO)(CO)CO
InChIInChI=1S/C9H13O3P.C4H11NO3.C2H4O2/c1-10-6-4-7(11-2)9(13)8(5-6)12-3;5-4(1-6,2-7)3-8;1-2(3)4/h4-5H,13H2,1-3H3;6-8H,1-3,5H2;1H3,(H,3,4)
InChIKeySBPHNSPKILHOET-UHFFFAOYSA-N
XLogP-1.04
TPSA151.70 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 5-1.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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;2-bromo-1,3,5-trimethoxybenzene;phosphane
CID 135262838
2-amino-2,4-dimethyl-5-(2,4,6-trimethoxyphenyl)pentanoic acid
CID 151789333
2,2-bis(hydroxymethyl)-4-(2,4,6-trimethoxyphenyl)but-3-ene-1,3-diol
CID 134248635
(2,4,6-trimethoxyphenyl) acetate
CID 68597137
2-hydroxy-N-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide
CID 115139976
4,4-difluoro-4-(2,4,6-trimethoxyphenyl)butanoic acid
CID 28745556
2-amino-3-hydroxy-2-(2-methoxyphenyl)propanoic acid
CID 22456431
3,3-dimethyl-1-(2,4,6-trimethoxyphenyl)butan-1-one
CID 98033306
1-(2,4,6-trimethoxyanilino)propan-2-one
CID 115234477
2-methyl-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-amine
CID 79330053
1,3,5-trimethoxybenzene;urea
CID 174919725
(4S)-4-amino-4-(2,4,6-trimethoxyphenyl)butanoic acid
CID 28744319

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-amino-2-(hydroxymethyl)propane-1,3-diol;(2,4,6-trimethoxyphenyl)phosphane?
The IUPAC name of acetic acid;2-amino-2-(hydroxymethyl)propane-1,3-diol;(2,4,6-trimethoxyphenyl)phosphane (CID 68986056) is acetic acid;2-amino-2-(hydroxymethyl)propane-1,3-diol;(2,4,6-trimethoxyphenyl)phosphane.
What is the SMILES notation for acetic acid;2-amino-2-(hydroxymethyl)propane-1,3-diol;(2,4,6-trimethoxyphenyl)phosphane?
The canonical SMILES for acetic acid;2-amino-2-(hydroxymethyl)propane-1,3-diol;(2,4,6-trimethoxyphenyl)phosphane is CC(=O)O.COc1cc(OC)c(P)c(OC)c1.NC(CO)(CO)CO.
What is the InChIKey of acetic acid;2-amino-2-(hydroxymethyl)propane-1,3-diol;(2,4,6-trimethoxyphenyl)phosphane?
The InChIKey is SBPHNSPKILHOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13O3P.C4H11NO3.C2H4O2/c1-10-6-4-7(11-2)9(13)8(5-6)12-3;5-4(1-6,2-7)3-8;1-2(3)4/h4-5H,13H2,1-3H3;6-8H,1-3,5H2;1H3,(H,3,4).
What are the key properties of acetic acid;2-amino-2-(hydroxymethyl)propane-1,3-diol;(2,4,6-trimethoxyphenyl)phosphane?
acetic acid;2-amino-2-(hydroxymethyl)propane-1,3-diol;(2,4,6-trimethoxyphenyl)phosphane has a molecular weight of 381.36 g/mol, XLogP of -1.04, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-amino-2-(hydroxymethyl)propane-1,3-diol;(2,4,6-trimethoxyphenyl)phosphane is sourced from PubChem (CID 68986056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).