[2-formyloxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphanyl]oxypropyl] formate;methanol;propane

C12H28NO8P — CID 178164252

IUPAC[2-formyloxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphanyl]oxypropyl] formate;methanol;propane
SMILESCCC.CNCCOP(O)OCC(COC=O)OC=O.CO
InChIInChI=1S/C8H16NO7P.C3H8.CH4O/c1-9-2-3-15-17(12)16-5-8(14-7-11)4-13-6-10;1-3-2;1-2/h6-9,12H,2-5H2,1H3;3H2,1-2H3;2H,1H3
InChIKeyKVZIUCDHSMSJJS-UHFFFAOYSA-N
MW345.33 g/mol
LogP0.20
Rot. Bonds12

About [2-formyloxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphanyl]oxypropyl] formate;methanol;propane

[2-formyloxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphanyl]oxypropyl] formate;methanol;propane (PubChem CID 178164252) has the molecular formula C12H28NO8P and a molecular weight of 345.33 g/mol. Its IUPAC name is [2-formyloxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphanyl]oxypropyl] formate;methanol;propane.

Molecular Properties

Compound Name[2-formyloxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphanyl]oxypropyl] formate;methanol;propane
PubChem CID178164252
Molecular FormulaC12H28NO8P
Molecular Weight345.33 g/mol
Exact Mass345.16
IUPAC Name[2-formyloxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphanyl]oxypropyl] formate;methanol;propane
SMILESCCC.CNCCOP(O)OCC(COC=O)OC=O.CO
InChIInChI=1S/C8H16NO7P.C3H8.CH4O/c1-9-2-3-15-17(12)16-5-8(14-7-11)4-13-6-10;1-3-2;1-2/h6-9,12H,2-5H2,1H3;3H2,1-2H3;2H,1H3
InChIKeyKVZIUCDHSMSJJS-UHFFFAOYSA-N
XLogP0.20
TPSA123.55 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [2-formyloxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphanyl]oxypropyl] formate;methanol;propane 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

formaldehyde;[3-[hydroxy-[2-(methoxycarbonylamino)ethoxy]phosphanyl]oxy-2-methoxypropyl] formate
CID 177064211
2,3-diformyloxypropyl acetate
CID 14344247
1-[4-(dimethylamino)butoxy-hydroxyphosphanyl]oxyoctadecan-2-yl formate
CID 88671924
sodium 2,3-diformyloxypropyl methyl phosphate
CID 157232939
(3-acetyloxy-2-formyloxypropyl) acetate
CID 23568328
[2-formyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] formate
CID 73317041
[3-methoxy-2-(methylcarbamoyloxy)propyl] formate
CID 143975319
[3-[[3-[2,3-diformyloxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-formyloxypropyl] formate
CID 74409370
[2-formyloxy-3-[hydroxy-[2-[[2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]acetyl]amino]ethoxy]phosphoryl]oxypropyl] formate
CID 89383220
2-propoxybutyl formate
CID 56995849
hexatriacontan-18-yl formate;2-[2-(methylamino)ethoxy]-4-[(2-methylpropan-2-yl)oxy]butane-2-thiol
CID 144696163
2-[6-(methylamino)hexylcarbamoyloxy]propyl formate
CID 170083157

Frequently Asked Questions

What is the IUPAC name of [2-formyloxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphanyl]oxypropyl] formate;methanol;propane?
The IUPAC name of [2-formyloxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphanyl]oxypropyl] formate;methanol;propane (CID 178164252) is [2-formyloxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphanyl]oxypropyl] formate;methanol;propane.
What is the SMILES notation for [2-formyloxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphanyl]oxypropyl] formate;methanol;propane?
The canonical SMILES for [2-formyloxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphanyl]oxypropyl] formate;methanol;propane is CCC.CNCCOP(O)OCC(COC=O)OC=O.CO.
What is the InChIKey of [2-formyloxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphanyl]oxypropyl] formate;methanol;propane?
The InChIKey is KVZIUCDHSMSJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO7P.C3H8.CH4O/c1-9-2-3-15-17(12)16-5-8(14-7-11)4-13-6-10;1-3-2;1-2/h6-9,12H,2-5H2,1H3;3H2,1-2H3;2H,1H3.
What are the key properties of [2-formyloxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphanyl]oxypropyl] formate;methanol;propane?
[2-formyloxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphanyl]oxypropyl] formate;methanol;propane has a molecular weight of 345.33 g/mol, XLogP of 0.20, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-formyloxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphanyl]oxypropyl] formate;methanol;propane is sourced from PubChem (CID 178164252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).