Basic information
- CAS
102069-16-9- Standard SMILES
O=c1n(CC(O)CNCCC(O)(P(=O)(O)O)P(=O)(O)O)c(=O)n(CC2CO2)n1CC1CO1- InChIKey
QAAVTVFAFOUUEE-UHFFFAOYSA-N- Molecular formula
- C14H26N4O12P2
- Average molar mass
- 504.32 g/mol
- Monoisotopic mass
- 504.10224627
Overview
structure given in first source
Names & identifiers
- Preferred name
- Diglycidyl-(3-(3,3-bisphosphono-3-hydroxypropylamino)-2-hydroxypropyl)urazol
- IUPAC
- [3-[[3-[1,2-bis(oxiran-2-ylmethyl)-3,5-dioxo-1,2,4-triazolidin-4-yl]-2-hydroxypropyl]amino]-1-hydroxy-1-phosphonopropyl]phosphonic acid
- English name
- diglycidyl-(3-(3,3-bisphosphono-3-hydroxypropylamino)-2-hydroxypropyl)urazol
- Molecular weight
- 0
Names & synonyms
102069-16-9Diglycidyl-(3-(3,3-bisphosphono-3-hydroxypropylamino)-2-hydroxypropyl)urazolRefChem:133643[3-[[3-[1,2-bis(oxiran-2-ylmethyl)-3,5-dioxo-1,2,4-triazolidin-4-yl]-2-hydroxypropyl]amino]-1-hydroxy-1-phosphonopropyl]phosphonic acidDTXSID20907027{3-[(3-{1,2-Bis[(oxiran-2-yl)methyl]-3,5-dioxo-1,2,4-triazolidin-4-yl}-2-hydroxypropyl)amino]-1-hydroxypropane-1,1-diyl}bis(phosphonic acid)Phosphonic acid, (3-((3-(1,2-bis(oxiranylmethyl)-3,5-dioxo-1,2,4-triazolidin-4-yl)-2-hydroxypropyl)amino)-1-hydroxypropylidene)bis-Phosphonic acid, [3-[[3-[1,2-bis(oxiranylmethyl)-3,5-dioxo-1,2,4-triazolidin-4-yl]-2-hydroxypropyl]amino]-1-hydroxypropylidene]bis- (9CI)
Database identifiers
- CAS
102069-16-9- PubChem CID
- 130511
- DTXSID
DTXSID20907027
Properties
Computed structural properties
- XLogP
- -8.3
- Topological polar surface area
- 236 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 13
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 779
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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