2-amino-2-(hydroxymethyl)propane-1,3-diol;2-bromo-1,3,5-trimethoxybenzene;phosphane

C13H25BrNO6P — CID 135262838

IUPAC2-amino-2-(hydroxymethyl)propane-1,3-diol;2-bromo-1,3,5-trimethoxybenzene;phosphane
SMILESCOc1cc(OC)c(Br)c(OC)c1.NC(CO)(CO)CO.P
InChIInChI=1S/C9H11BrO3.C4H11NO3.H3P/c1-11-6-4-7(12-2)9(10)8(5-6)13-3;5-4(1-6,2-7)3-8;/h4-5H,1-3H3;6-8H,1-3,5H2;1H3
InChIKeyAZPYOCJZTAFRMS-UHFFFAOYSA-N
MW402.22 g/mol
LogP0.19
Rot. Bonds6

About 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-bromo-1,3,5-trimethoxybenzene;phosphane

2-amino-2-(hydroxymethyl)propane-1,3-diol;2-bromo-1,3,5-trimethoxybenzene;phosphane (PubChem CID 135262838) has the molecular formula C13H25BrNO6P and a molecular weight of 402.22 g/mol. Its IUPAC name is 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-bromo-1,3,5-trimethoxybenzene;phosphane.

Molecular Properties

Compound Name2-amino-2-(hydroxymethyl)propane-1,3-diol;2-bromo-1,3,5-trimethoxybenzene;phosphane
PubChem CID135262838
Molecular FormulaC13H25BrNO6P
Molecular Weight402.22 g/mol
Exact Mass401.06
IUPAC Name2-amino-2-(hydroxymethyl)propane-1,3-diol;2-bromo-1,3,5-trimethoxybenzene;phosphane
SMILESCOc1cc(OC)c(Br)c(OC)c1.NC(CO)(CO)CO.P
InChIInChI=1S/C9H11BrO3.C4H11NO3.H3P/c1-11-6-4-7(12-2)9(10)8(5-6)13-3;5-4(1-6,2-7)3-8;/h4-5H,1-3H3;6-8H,1-3,5H2;1H3
InChIKeyAZPYOCJZTAFRMS-UHFFFAOYSA-N
XLogP0.19
TPSA114.40 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.22
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-bromo-1,3,5-trimethoxybenzene;phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetic acid;2-amino-2-(hydroxymethyl)propane-1,3-diol;(2,4,6-trimethoxyphenyl)phosphane
CID 68986056
(3R)-3-amino-3-(4-bromo-3,5-dimethoxyphenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171240426
(2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)ethanol
CID 66515834
4-bromo-3,5-dimethoxyphenol
CID 14339099
2,2-bis(hydroxymethyl)-4-(2,4,6-trimethoxyphenyl)but-3-ene-1,3-diol
CID 134248635
2-(2,4,6-trimethoxyphenyl)propane-1,2-diamine
CID 116855607
(3S)-3-amino-3-(4-bromo-3,5-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 171221844
2-[2-(4-bromo-3,5-dimethoxyphenyl)propan-2-yloxy]ethanol
CID 142343970
(2,3-dibromo-5-methoxyphenyl)methanol
CID 171002427
2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3,5-dimethoxyphenol
CID 171248766
(4R)-4-amino-4-(4-bromo-3,5-dimethoxyphenyl)butan-1-ol;hydrochloride
CID 171202296
2-bromo-1,3,5-trimethoxybenzene;4,4,5,5-tetramethyl-2-(2,4,6-trimethoxyphenyl)-1,3,2-dioxaborolane
CID 159386589

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-bromo-1,3,5-trimethoxybenzene;phosphane?
The IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-bromo-1,3,5-trimethoxybenzene;phosphane (CID 135262838) is 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-bromo-1,3,5-trimethoxybenzene;phosphane.
What is the SMILES notation for 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-bromo-1,3,5-trimethoxybenzene;phosphane?
The canonical SMILES for 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-bromo-1,3,5-trimethoxybenzene;phosphane is COc1cc(OC)c(Br)c(OC)c1.NC(CO)(CO)CO.P.
What is the InChIKey of 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-bromo-1,3,5-trimethoxybenzene;phosphane?
The InChIKey is AZPYOCJZTAFRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO3.C4H11NO3.H3P/c1-11-6-4-7(12-2)9(10)8(5-6)13-3;5-4(1-6,2-7)3-8;/h4-5H,1-3H3;6-8H,1-3,5H2;1H3.
What are the key properties of 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-bromo-1,3,5-trimethoxybenzene;phosphane?
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-bromo-1,3,5-trimethoxybenzene;phosphane has a molecular weight of 402.22 g/mol, XLogP of 0.19, 6 rotatable bonds, 4 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-bromo-1,3,5-trimethoxybenzene;phosphane is sourced from PubChem (CID 135262838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).