13089-48-0

Name N-Benzoylcytidine
CAS 13089-48-0
EINECS(EC#) 603-444-9
Molecular Formula C16H17N3O6
MDL Number MFCD00010572
Molecular Weight 347.32
MOL File 13089-48-0.mol
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Chemical Properties

Appearance Slightly Pink Solid
Melting point  230-234 °C (dec.)(lit.)
density  1.59±0.1 g/cm3(Predicted)
refractive index  46 ° (C=1, DMSO)
storage temp.  Store at 0°C
solubility  Soluble in 1N NaOH at 10mg/ml. Also soluble in methanol or DMSO
form  Crystalline Powder
pka 8.61±0.20(Predicted)
color  White to Off-white
Optical Rotation [α]27/D +55°, c = 0.1 in methanol
Usage A useful building block for oligoribonucleotide synthesis
InChI 1S/C16H17N3O6/c20-8-10-12(21)13(22)15(25-10)19-7-6-11(18-16(19)24)17-14(23)9-4-2-1-3-5-9/h1-7,10,12-13,15,20-22H,8H2,(H,17,18,23,24)/t10-,12-,13-,15-/m1/s1
InChIKey BNXBRFDWSPXODM-BPGGGUHBSA-N
SMILES OC[C@H]1O[C@@H](N2C=CC(NC(=O)C3=CC=CC=C3)=NC2=O)[C@H](O)[C@@H]1O
CAS DataBase Reference 13089-48-0(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P280-P302+P352-P362+P364
Safety Statements 
WGK Germany  3
REACH Registrations Active
HS Code  29349990
Storage Class 11 - Combustible Solids

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