Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed 5   > 5H-Furo[3,2-g][1]benzopyran-5-one,2,3,6,7-tetrahydro-4,6-dihydroxy-7-(4-hydroxyphenyl)-2-(1-methylet...
147118-40-9 structure

5H-Furo[3,2-g][1]benzopyran-5-one,2,3,6,7-tetrahydro-4,6-dihydroxy-7-(4-hydroxyphenyl)-2-(1-methylethenyl)- (9CI)

Iupac Name:methyl (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate
CAS No.:147118-40-9
EINECS(EC#): 264-865-8
Molecular Weight:495.566
Molecular Formula:C19H18N4O5S3 (isomer)
Names and Identifiers
Synonyms

Vellokaempferol

Inchi
InChI=1S/C23H30FN3O6S/c1-14(2)21-19(11-10-17(28)12-18(29)13-20(30)33-4)22(15-6-8-16(24)9-7-15)26-23(25-21)27(3)34(5,31)32/h6-11,14,17-18,28-29H,12-13H2,1-5H3/b11-10+/t17-,18-/m1/s1
InChkey
SUTPUCLJAVPJRS-NDZBKKTDSA-N
Canonical Smiles
CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)OC)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C
Properties
Boiling Point
505.8°Cat760mmHg
Vapour
4E-20mmHg at 25°C
Refractive Index
1.575
Flash Point
168℃
HS Code
2935009090
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:495.566g/mol
  • Molecular Formula:C19H18N4O5S3
  • Compound Is Canonicalized:True
  • Exact Mass:495.184
  • Monoisotopic Mass:495.184
  • Complexity:782
  • Rotatable Bond Count:11
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:10
  • Topological Polar Surface Area:138A^2
  • Heavy Atom Count:34
  • Defined Atom Stereocenter Count:2
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7OQBAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHwQASAAADRyhng6zmJYIFgKo AyTybHCCgCkhAKAJmCE4RJiIPLbA2dGEdAhtoAJI2CeY7MxOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:+86-311-85355123
  • Fax:+86-311-85355123
  • Tel:86-571-87758665
  • Fax:86-571-86821328
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-21-33758180
  • Fax:86-21-51685790
  • Tel:86-592-5360779
  • Fax:86-592-5360779
  • Tel:86-27-83214668
  • Fax:86-27-83214668
  • Tel:+86-025-58535435
  • Fax:
  • Tel:86-312-18103315327
  • Fax:86-312-18103315327
Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:+86-311-85355123
  • Fax:+86-311-85355123
  • Tel:86-571-87758665
  • Fax:86-571-86821328
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-21-33758180
  • Fax:86-21-51685790
  • Tel:86-592-5360779
  • Fax:86-592-5360779
  • Tel:86-27-83214668
  • Fax:86-27-83214668
  • Tel:+86-025-58535435
  • Fax:
  • Tel:86-312-18103315327
  • Fax:86-312-18103315327
 
<