6-amino-3-(2,3,5-tr...

6-amino-3-(2,3,5-tri-O-benzylpentofuranosyl)-3,4-dihydro-1,3,5-triazin-2(1H)-one(CAS No. 71084-42-9)

6-amino-3-(2,3,5-tri-O-benzylpentofuranosyl)-3,4-dihydro-1,3,5-triazin-2(1H)-one(CAS No. 71084-42-9)

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Keywords

4-amino-1-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-3,6-dihydro-1,3,5-triazin-2-on 71084-42-9 98%

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  • Appearance:Solid
  • Application:Organic Chemicals
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  • ProductionCapacity:1|Metric Ton|Month
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Details:

【Name】
6-amino-3-(2,3,5-tri-O-benzylpentofuranosyl)-3,4-dihydro-1,3,5-triazin-2(1H)-one
【Iupac name】
6-amino-3-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,
4-dihydro-1,3,5-triazin-2-one hydrochloride
【CAS Registry number】
71084-42-9
【Synonyms】
NSC272701
NSC-272701
71084-42-9
【Molecular Formula】
C29H32N4O5 (Products with the same molecular formula)
【Molecular Weight】
516.5882
【Inchi】
InChI=1/C29H32N4O5/c30-28-31-20-33(29(34)32-28)27-26(37-18-23-14-8-3-9-15-23)25(36-17-22-12-6-2-7-13-22)24(38-27)19-35-16-21-10-4-1-5-11-21/h1-15,24-27H,16-20H2,(H3,30,31,32,34)
【Canonical SMILES】
C1N=C(NC(=O)N1C2C(C(C(O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)N.Cl
【MOL File】
71084-42-9.mol
Chemical and Physical Properties
【Density】
1.3g/cm3
【Boiling Point】
°Cat760mmHg
【Refractive Index】
1.634
【Flash Point】
°C
【Computed Properties】
Molecular Weight:553.04912 [g/mol]
Molecular Formula:C29H33ClN4O5
H-Bond Donor:3
H-Bond Acceptor:6
Rotatable Bond Count:11
Tautomer Count:5
Exact Mass:552.213948
MonoIsotopic Mass:552.213948
Topological Polar Surface Area:108
Heavy Atom Count:39
Formal Charge:0
Complexity:764
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:4
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2

 

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