formaldehyde;[3-[hydroxy-[2-(methoxycarbonylamino)ethoxy]phosphanyl]oxy-2-methoxypropyl] formate

C10H20NO9P — CID 177064211

IUPACformaldehyde;[3-[hydroxy-[2-(methoxycarbonylamino)ethoxy]phosphanyl]oxy-2-methoxypropyl] formate
SMILESC=O.COC(=O)NCCOP(O)OCC(COC=O)OC
InChIInChI=1S/C9H18NO8P.CH2O/c1-14-8(5-16-7-11)6-18-19(13)17-4-3-10-9(12)15-2;1-2/h7-8,13H,3-6H2,1-2H3,(H,10,12);1H2
InChIKeyIMDUVHQGAHRKME-UHFFFAOYSA-N
MW329.24 g/mol
LogP-0.40
Rot. Bonds11

About formaldehyde;[3-[hydroxy-[2-(methoxycarbonylamino)ethoxy]phosphanyl]oxy-2-methoxypropyl] formate

formaldehyde;[3-[hydroxy-[2-(methoxycarbonylamino)ethoxy]phosphanyl]oxy-2-methoxypropyl] formate (PubChem CID 177064211) has the molecular formula C10H20NO9P and a molecular weight of 329.24 g/mol. Its IUPAC name is formaldehyde;[3-[hydroxy-[2-(methoxycarbonylamino)ethoxy]phosphanyl]oxy-2-methoxypropyl] formate.

Molecular Properties

Compound Nameformaldehyde;[3-[hydroxy-[2-(methoxycarbonylamino)ethoxy]phosphanyl]oxy-2-methoxypropyl] formate
PubChem CID177064211
Molecular FormulaC10H20NO9P
Molecular Weight329.24 g/mol
Exact Mass329.09
IUPAC Nameformaldehyde;[3-[hydroxy-[2-(methoxycarbonylamino)ethoxy]phosphanyl]oxy-2-methoxypropyl] formate
SMILESC=O.COC(=O)NCCOP(O)OCC(COC=O)OC
InChIInChI=1S/C9H18NO8P.CH2O/c1-14-8(5-16-7-11)6-18-19(13)17-4-3-10-9(12)15-2;1-2/h7-8,13H,3-6H2,1-2H3,(H,10,12);1H2
InChIKeyIMDUVHQGAHRKME-UHFFFAOYSA-N
XLogP-0.40
TPSA129.62 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
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'}

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Related Compounds

[2-formyloxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphanyl]oxypropyl] formate;methanol;propane
CID 178164252
tert-butyl N-(2-dihydroxyphosphanyloxyethyl)carbamate
CID 11493582
[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
methyl N-[4-(methoxycarbonylamino)butyl]carbamate
CID 2255932
methyl N-(2-trimethylsilylethyl)carbamate
CID 130010810
tert-butyl N-[(2R)-2,3-dimethoxypropyl]carbamate
CID 87486747
2-(2-formyloxyethoxycarbonylamino)ethyl 2-methylprop-2-enoate
CID 89172590
2-[6-(methylamino)hexylcarbamoyloxy]propyl formate
CID 170083157
methyl N-[10-(methoxycarbonylamino)decyl]carbamate
CID 54285968
methyl N-[2-[2-[2-(2,3-dihydroxypropoxy)ethoxy]ethoxy]ethyl]carbamate
CID 22886573
sodium 2,3-diformyloxypropyl methyl phosphate
CID 157232939
2-(methoxycarbonylamino)ethyl N-ethyl-N-hydroxycarbamate
CID 568339

Frequently Asked Questions

What is the IUPAC name of formaldehyde;[3-[hydroxy-[2-(methoxycarbonylamino)ethoxy]phosphanyl]oxy-2-methoxypropyl] formate?
The IUPAC name of formaldehyde;[3-[hydroxy-[2-(methoxycarbonylamino)ethoxy]phosphanyl]oxy-2-methoxypropyl] formate (CID 177064211) is formaldehyde;[3-[hydroxy-[2-(methoxycarbonylamino)ethoxy]phosphanyl]oxy-2-methoxypropyl] formate.
What is the SMILES notation for formaldehyde;[3-[hydroxy-[2-(methoxycarbonylamino)ethoxy]phosphanyl]oxy-2-methoxypropyl] formate?
The canonical SMILES for formaldehyde;[3-[hydroxy-[2-(methoxycarbonylamino)ethoxy]phosphanyl]oxy-2-methoxypropyl] formate is C=O.COC(=O)NCCOP(O)OCC(COC=O)OC.
What is the InChIKey of formaldehyde;[3-[hydroxy-[2-(methoxycarbonylamino)ethoxy]phosphanyl]oxy-2-methoxypropyl] formate?
The InChIKey is IMDUVHQGAHRKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO8P.CH2O/c1-14-8(5-16-7-11)6-18-19(13)17-4-3-10-9(12)15-2;1-2/h7-8,13H,3-6H2,1-2H3,(H,10,12);1H2.
What are the key properties of formaldehyde;[3-[hydroxy-[2-(methoxycarbonylamino)ethoxy]phosphanyl]oxy-2-methoxypropyl] formate?
formaldehyde;[3-[hydroxy-[2-(methoxycarbonylamino)ethoxy]phosphanyl]oxy-2-methoxypropyl] formate has a molecular weight of 329.24 g/mol, XLogP of -0.40, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;[3-[hydroxy-[2-(methoxycarbonylamino)ethoxy]phosphanyl]oxy-2-methoxypropyl] formate is sourced from PubChem (CID 177064211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).