-
Substance Detail CAS Registry Number 2140-71-8 Key Physical Properties Value Condition Molecular Weight 297.27 - Melting Point (Experimental) 233-235 °C Solvent: Methanol Density (Predicted) 1.98±0.1 g/cm3 Temp: 20 °C; Press: 760 Torr pKa (Predicted) 9.64±0.20 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES O=C1N=C(N)NC2=C1N=CN2C3OC(CO)C(O)C3OC Isomeric SMILES O (c) [c@h] 1 [c@h] (n2c3 = c (n = c2) c (= o) n = c (n) n3) o [c@h] (CO) [C@h] 1o Inchi Inchi = 1S/C11H15N5O5/C1-20-7 -... -
-
-
-
-
Substance Detail CAS Registry Number 163759-94-2 Key Physical Properties Value Condition Molecular Weight 922.01 - pKa (Predicted) 8.59±0.40 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES N#CCCOP(OC1C(OC(N2C=C(C(= NC2=O)NC(=O)C=3C=CC=CC3)C)C1OCCOC)COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C 6)N(C(C)C)C(C)C Isomeric SMILES C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OCCOC)[C@@H](O1)N2C(=O)N=C(NC(=O)C3=CC=CC=C3)C(C)=C2)(C4=CC = C (OC) C = C4) (C5 = CC = C (OC) C ... -
-
-
-
-
Substance Detail CAS Registry Number 144089-97-4 Key Physical Properties Value Condition Molecular Weight 857.91 - pKa (Predicted) 9.16±0.20 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES N#CCCOP(OC1C(F)C(OC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4)N5C= NC=6C(=O)N=C(NC(=O)C(C)C)NC65)N(C(C) C)C(C)C Isomeric SMILES C (OC [C @@ H] 1 [C @@ H] (OP (N (C (C) C) C (C) C) OCCC#N) [C @@ H] (F) [C @@ H] (O1) N2C3 = C (n = C2) C (= O) N = C (NC (C (C) C) C) N3) (C4 = C = C (OC) C) = C4) (C5 = CC = C (OC) C = C5) C6 = CC = ... -
