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Home> Hot Product Listed B   > benzyl 3,4-anhydro-β-L-ribopyranoside
50-56-6 structure

benzyl 3,4-anhydro-β-L-ribopyranoside

CAS No.:50-56-6
Molecular Weight:1007.18734
Molecular Formula:C16H21CLO2 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)
Canonical Smiles
CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCCC3C(=O)NC(CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N
Properties
Melting Point
192-194 °C
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
26-36
HazardClass
6.1(a)
PackingGroup
II
Transport
UN 3249
Reach Info
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:1007.18734g/mol
  • Molecular Formula:C16H21CLO2
  • Exact Mass:1006.436457
  • Monoisotopic Mass:1006.436457
  • Complexity:1870
  • Rotatable Bond Count:17
  • Hydrogen Bond Donor Count:12
  • Hydrogen Bond Acceptor Count:15
  • Topological Polar Surface Area:450
  • Heavy Atom Count:69
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:9
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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