2-[(2-amino-2-oxoethoxy)-hydroxyphosphoryl]oxyethyl (2-amino-2-oxoethyl) 2-hydroxyethyl phosphate

C8H18N2O11P2 — CID 88817359

IUPAC2-[(2-amino-2-oxoethoxy)-hydroxyphosphoryl]oxyethyl (2-amino-2-oxoethyl) 2-hydroxyethyl phosphate
SMILESNC(=O)COP(=O)(O)OCCOP(=O)(OCCO)OCC(N)=O
InChIInChI=1S/C8H18N2O11P2/c9-7(12)5-20-22(14,15)17-3-4-19-23(16,18-2-1-11)21-6-8(10)13/h11H,1-6H2,(H2,9,12)(H2,10,13)(H,14,15)
InChIKeyHGWSKCJQQCQINI-UHFFFAOYSA-N
MW380.18 g/mol
LogP-1.76
Rot. Bonds14

About 2-[(2-amino-2-oxoethoxy)-hydroxyphosphoryl]oxyethyl (2-amino-2-oxoethyl) 2-hydroxyethyl phosphate

2-[(2-amino-2-oxoethoxy)-hydroxyphosphoryl]oxyethyl (2-amino-2-oxoethyl) 2-hydroxyethyl phosphate (PubChem CID 88817359) has the molecular formula C8H18N2O11P2 and a molecular weight of 380.18 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethoxy)-hydroxyphosphoryl]oxyethyl (2-amino-2-oxoethyl) 2-hydroxyethyl phosphate.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethoxy)-hydroxyphosphoryl]oxyethyl (2-amino-2-oxoethyl) 2-hydroxyethyl phosphate
PubChem CID88817359
Molecular FormulaC8H18N2O11P2
Molecular Weight380.18 g/mol
Exact Mass380.04
IUPAC Name2-[(2-amino-2-oxoethoxy)-hydroxyphosphoryl]oxyethyl (2-amino-2-oxoethyl) 2-hydroxyethyl phosphate
SMILESNC(=O)COP(=O)(O)OCCOP(=O)(OCCO)OCC(N)=O
InChIInChI=1S/C8H18N2O11P2/c9-7(12)5-20-22(14,15)17-3-4-19-23(16,18-2-1-11)21-6-8(10)13/h11H,1-6H2,(H2,9,12)(H2,10,13)(H,14,15)
InChIKeyHGWSKCJQQCQINI-UHFFFAOYSA-N
XLogP-1.76
TPSA206.93 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.18
LogP ≤ 5-1.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

tris(2-amino-2-oxoethyl) phosphate
CID 88773864
1-O-(2-hydroxyethyl) 4-O-[2-[hydroxy-[2-[4-(2-hydroxyethoxycarbonyl)benzoyl]oxyethoxy]phosphoryl]oxyethyl] benzene-1,4-dicarboxylate
CID 138530108
tert-butyl 2-[2-[2-[2-[2-[2-[hydroxy(2-hydroxyethoxy)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen phosphate
CID 165033493
2-aminoethyl 2-methoxyethyl hydrogen phosphate
CID 59087649
2-hydroxyethyl dihydrogen phosphate;phosphoric acid
CID 155226574
azane;hexadecyl 2-hydroxyethyl hydrogen phosphate
CID 173341052
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetamide
CID 87940620
dicalcium;hydride;2-hydroxyethyl dihydrogen phosphate
CID 174231614
ethene;2-hydroxyethyl dihydrogen phosphate
CID 173023199
2-hydroxyethyl ditridecyl phosphate
CID 86141691
decyl 2-hydroxyethyl propyl phosphate
CID 151935129
(4-amino-4-oxobutyl) methyl hydrogen phosphate
CID 89393269

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethoxy)-hydroxyphosphoryl]oxyethyl (2-amino-2-oxoethyl) 2-hydroxyethyl phosphate?
The IUPAC name of 2-[(2-amino-2-oxoethoxy)-hydroxyphosphoryl]oxyethyl (2-amino-2-oxoethyl) 2-hydroxyethyl phosphate (CID 88817359) is 2-[(2-amino-2-oxoethoxy)-hydroxyphosphoryl]oxyethyl (2-amino-2-oxoethyl) 2-hydroxyethyl phosphate.
What is the SMILES notation for 2-[(2-amino-2-oxoethoxy)-hydroxyphosphoryl]oxyethyl (2-amino-2-oxoethyl) 2-hydroxyethyl phosphate?
The canonical SMILES for 2-[(2-amino-2-oxoethoxy)-hydroxyphosphoryl]oxyethyl (2-amino-2-oxoethyl) 2-hydroxyethyl phosphate is NC(=O)COP(=O)(O)OCCOP(=O)(OCCO)OCC(N)=O.
What is the InChIKey of 2-[(2-amino-2-oxoethoxy)-hydroxyphosphoryl]oxyethyl (2-amino-2-oxoethyl) 2-hydroxyethyl phosphate?
The InChIKey is HGWSKCJQQCQINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O11P2/c9-7(12)5-20-22(14,15)17-3-4-19-23(16,18-2-1-11)21-6-8(10)13/h11H,1-6H2,(H2,9,12)(H2,10,13)(H,14,15).
What are the key properties of 2-[(2-amino-2-oxoethoxy)-hydroxyphosphoryl]oxyethyl (2-amino-2-oxoethyl) 2-hydroxyethyl phosphate?
2-[(2-amino-2-oxoethoxy)-hydroxyphosphoryl]oxyethyl (2-amino-2-oxoethyl) 2-hydroxyethyl phosphate has a molecular weight of 380.18 g/mol, XLogP of -1.76, 14 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethoxy)-hydroxyphosphoryl]oxyethyl (2-amino-2-oxoethyl) 2-hydroxyethyl phosphate is sourced from PubChem (CID 88817359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).