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About This Item
Empirical Formula (Hill Notation):
C17H20N4O6
CAS Number:
Molecular Weight:
376.36
EC Number:
201-507-1
UNSPSC Code:
12352103
MDL number:
Beilstein/REAXYS Number:
97825
assay
98%
optical activity
[α]21/D −114.9°, c = 0.5 in 0.1 M NaOH in methanol: water
mp
290 °C (dec.) (lit.)
SMILES string
CC1=C(C)C=C(N(C[C@H](O)[C@@H]([C@H](O)CO)O)C(C2=N3)=NC(NC2=O)=O)C3=C1
InChI
1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1
InChI key
AUNGANRZJHBGPY-SCRDCRAPSA-N
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Storage Class
11 - Combustible Solids
WGK
WGK 1
Flash Point (°F)
Not applicable
Flash Point (°C)
Not applicable
PPE (personal protective equipment)
Eyeshields, Gloves, type N95 (US)
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