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About This Item
Empirical Formula (Hill Notation):
C10H12N5Na2O7P · xH2O
CAS Number:
Molecular Weight:
391.18 (anhydrous basis)
MDL number:
UNSPSC Code:
41106305
PubChem Substance ID:
NACRES:
NA.22
Quality Level
Assay
≥98%
form
solid
impurities
≤4% ethanol
mp
>245 °C (dec.) (lit.)
SMILES string
[Na+].[Na+].[H]O[H].NC1=Nc2c(ncn2[C@H]3C[C@H](O)[C@@H](COP([O-])([O-])=O)O3)C(=O)N1
InChI
1S/C10H14N5O7P.2Na.H2O/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20;;;/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17);;;1H2/q;2*+1;/p-2/t4-,5+,6+;;;/m0.../s1
InChI key
HQSJCEYJAGVPJG-BIHLCPNHSA-L
Application
Reactant involved in:
- Analysis of self-assembling in solution and nucleation / growth of G-qudruplexes
- Nucleophilic trapping
- Reductive alkylation
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
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PloS one, 8(1), e54420-e54420 (2013-02-01)
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