[bis(hydroxymethyl)amino]methanol;phosphoric acid

C3H12NO7P — CID 158136077

IUPAC[bis(hydroxymethyl)amino]methanol;phosphoric acid
SMILESO=P(O)(O)O.OCN(CO)CO
InChIInChI=1S/C3H9NO3.H3O4P/c5-1-4(2-6)3-7;1-5(2,3)4/h5-7H,1-3H2;(H3,1,2,3,4)
InChIKeyFTJDMCFKMFIQQN-UHFFFAOYSA-N
MW205.10 g/mol
LogP-2.79
Rot. Bonds3

About [bis(hydroxymethyl)amino]methanol;phosphoric acid

[bis(hydroxymethyl)amino]methanol;phosphoric acid (PubChem CID 158136077) has the molecular formula C3H12NO7P and a molecular weight of 205.10 g/mol. Its IUPAC name is [bis(hydroxymethyl)amino]methanol;phosphoric acid.

Molecular Properties

Compound Name[bis(hydroxymethyl)amino]methanol;phosphoric acid
PubChem CID158136077
Molecular FormulaC3H12NO7P
Molecular Weight205.10 g/mol
Exact Mass205.04
IUPAC Name[bis(hydroxymethyl)amino]methanol;phosphoric acid
SMILESO=P(O)(O)O.OCN(CO)CO
InChIInChI=1S/C3H9NO3.H3O4P/c5-1-4(2-6)3-7;1-5(2,3)4/h5-7H,1-3H2;(H3,1,2,3,4)
InChIKeyFTJDMCFKMFIQQN-UHFFFAOYSA-N
XLogP-2.79
TPSA141.69 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500205.10
LogP ≤ 5-2.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [bis(hydroxymethyl)amino]methanol;phosphoric acid 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

[bis(hydroxymethyl)amino]methanol;titanium
CID 174785911
2-hydroxyacetic acid;phosphoric acid
CID 23322415
azane;ethane-1,2-diol;phosphoric acid
CID 174794036
[bis(hydroxymethyl)amino]methanol;carbamic acid
CID 174403206
alumane;ethane;phosphoric acid
CID 173118040
sodium;ethanol;phosphoric acid
CID 87786225
2-[ethyl(2-hydroxyethyl)amino]ethanol;phosphoric acid
CID 19082538
hydrogen peroxide;phosphoric acid
CID 18509931
CID 159816390
CID 159816390
methane;phosphoric acid
CID 18515646
phosphane;phosphoric acid
CID 172840180
phosphoric acid;hydrate
CID 22023151

Frequently Asked Questions

What is the IUPAC name of [bis(hydroxymethyl)amino]methanol;phosphoric acid?
The IUPAC name of [bis(hydroxymethyl)amino]methanol;phosphoric acid (CID 158136077) is [bis(hydroxymethyl)amino]methanol;phosphoric acid.
What is the SMILES notation for [bis(hydroxymethyl)amino]methanol;phosphoric acid?
The canonical SMILES for [bis(hydroxymethyl)amino]methanol;phosphoric acid is O=P(O)(O)O.OCN(CO)CO.
What is the InChIKey of [bis(hydroxymethyl)amino]methanol;phosphoric acid?
The InChIKey is FTJDMCFKMFIQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO3.H3O4P/c5-1-4(2-6)3-7;1-5(2,3)4/h5-7H,1-3H2;(H3,1,2,3,4).
What are the key properties of [bis(hydroxymethyl)amino]methanol;phosphoric acid?
[bis(hydroxymethyl)amino]methanol;phosphoric acid has a molecular weight of 205.10 g/mol, XLogP of -2.79, 3 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(hydroxymethyl)amino]methanol;phosphoric acid is sourced from PubChem (CID 158136077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).