[2-aminoethoxy(hydroxy)phosphoryl] hydroxymethyl hydrogen phosphate

C3H11NO8P2 — CID 129027526

IUPAC[2-aminoethoxy(hydroxy)phosphoryl] hydroxymethyl hydrogen phosphate
SMILESNCCOP(=O)(O)OP(=O)(O)OCO
InChIInChI=1S/C3H11NO8P2/c4-1-2-10-13(6,7)12-14(8,9)11-3-5/h5H,1-4H2,(H,6,7)(H,8,9)
InChIKeyIJUAXIMPRGCURP-UHFFFAOYSA-N
MW251.07 g/mol
LogP-0.85
Rot. Bonds7

About [2-aminoethoxy(hydroxy)phosphoryl] hydroxymethyl hydrogen phosphate

[2-aminoethoxy(hydroxy)phosphoryl] hydroxymethyl hydrogen phosphate (PubChem CID 129027526) has the molecular formula C3H11NO8P2 and a molecular weight of 251.07 g/mol. Its IUPAC name is [2-aminoethoxy(hydroxy)phosphoryl] hydroxymethyl hydrogen phosphate.

Molecular Properties

Compound Name[2-aminoethoxy(hydroxy)phosphoryl] hydroxymethyl hydrogen phosphate
PubChem CID129027526
Molecular FormulaC3H11NO8P2
Molecular Weight251.07 g/mol
Exact Mass251.00
IUPAC Name[2-aminoethoxy(hydroxy)phosphoryl] hydroxymethyl hydrogen phosphate
SMILESNCCOP(=O)(O)OP(=O)(O)OCO
InChIInChI=1S/C3H11NO8P2/c4-1-2-10-13(6,7)12-14(8,9)11-3-5/h5H,1-4H2,(H,6,7)(H,8,9)
InChIKeyIJUAXIMPRGCURP-UHFFFAOYSA-N
XLogP-0.85
TPSA148.54 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.07
LogP ≤ 5-0.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [2-aminoethoxy(hydroxy)phosphoryl] hydroxymethyl hydrogen phosphate 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) hydrogen phosphate
CID 18504364
2-aminoethyl 2-methoxyethyl hydrogen phosphate
CID 59087649
2-aminoethoxyphosphonamidic acid
CID 139489144
CID 174640608
CID 174640608
2-[2-aminoethoxy(hydroxy)phosphoryl]oxyethyl 2-methylpropanoate
CID 126647188
2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl methyl hydrogen phosphate
CID 129040767
bis(hydroxymethoxy)phosphoryl bis(hydroxymethyl) phosphate
CID 91170796
[hydroxy(2-methoxyethoxy)phosphoryl] phosphono hydrogen phosphate
CID 151699028
acetic acid;bis(2-aminoethyl dihydrogen phosphate);copper
CID 139211800
2-aminoethyl dihydrogen phosphate;(2S)-2-amino-3-hydroxypropanoic acid
CID 170987656
amino bis(2-aminoethyl) phosphate
CID 175047381
guanidine;hydroxymethyl dihydrogen phosphate
CID 87849395

Frequently Asked Questions

What is the IUPAC name of [2-aminoethoxy(hydroxy)phosphoryl] hydroxymethyl hydrogen phosphate?
The IUPAC name of [2-aminoethoxy(hydroxy)phosphoryl] hydroxymethyl hydrogen phosphate (CID 129027526) is [2-aminoethoxy(hydroxy)phosphoryl] hydroxymethyl hydrogen phosphate.
What is the SMILES notation for [2-aminoethoxy(hydroxy)phosphoryl] hydroxymethyl hydrogen phosphate?
The canonical SMILES for [2-aminoethoxy(hydroxy)phosphoryl] hydroxymethyl hydrogen phosphate is NCCOP(=O)(O)OP(=O)(O)OCO.
What is the InChIKey of [2-aminoethoxy(hydroxy)phosphoryl] hydroxymethyl hydrogen phosphate?
The InChIKey is IJUAXIMPRGCURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H11NO8P2/c4-1-2-10-13(6,7)12-14(8,9)11-3-5/h5H,1-4H2,(H,6,7)(H,8,9).
What are the key properties of [2-aminoethoxy(hydroxy)phosphoryl] hydroxymethyl hydrogen phosphate?
[2-aminoethoxy(hydroxy)phosphoryl] hydroxymethyl hydrogen phosphate has a molecular weight of 251.07 g/mol, XLogP of -0.85, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-aminoethoxy(hydroxy)phosphoryl] hydroxymethyl hydrogen phosphate is sourced from PubChem (CID 129027526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).