Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Others
dioxomolybdenum(VI) chloride hydrate structure
dioxomolybdenum(VI) chloride hydrate structure

dioxomolybdenum(VI) chloride hydrate

Iupac Name:[(1S,3R,15R,18S,19R,20R,21R,22S,23R,24R,25R,26S)-19,20,22,23,25-pentaacetyloxy-21-(acetyloxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-15-yl] benzoate
CAS No.:345954-00-9
Molecular Weight:925.88
1. Names and Identifiers
1.1 Name
dioxomolybdenum(VI) chloride hydrate
1.2 CAS No.
345954-00-9
1.3 CID
44584747
1.4 Molecular Formula
C12H19NO2 (isomer)
1.5 Inchi
InChI=1S/C45H51NO20/c1-22(47)57-21-44-36(62-26(5)51)32(59-23(2)48)31-34(61-25(4)50)45(44)43(9,56)35(33(60-24(3)49)37(44)63-27(6)52)64-40(55)41(7,65-38(53)28-14-11-10-12-15-28)18-17-30-29(16-13-19-46-30)39(54)58-20-42(31,8)66-45/h10-16,19,31-37,56H,17-18,20-21H2,1-9H3/t31-,32-,33+,34-,35+,36-,37+,41-,42+,43+,44-,45+/m1/s1
1.6 InChkey
YJDNHPICMWQYIV-VTPOCOLISA-N
1.7 Canonical Smiles
CC(=O)OCC12C(C(C3C(C14C(C(C(C2OC(=O)C)OC(=O)C)OC(=O)C(CCC5=C(C=CC=N5)C(=O)OCC3(O4)C)(C)OC(=O)C6=CC=CC=C6)(C)O)OC(=O)C)OC(=O)C)OC(=O)C
1.8 Isomers Smiles
CC(=O)OC[C@]12[C@@H]([C@@H]([C@@H]3[C@H]([C@]14[C@@]([C@H]([C@@H]([C@@H]2OC(=O)C)OC(=O)C)OC(=O)[C@](CCC5=C(C=CC=N5)C(=O)OC[C@@]3(O4)C)(C)OC(=O)C6=CC=CC=C6)(C)O)OC(=O)C)OC(=O)C)OC(=O)C
2. Computational chemical data
  • Molecular Weight: 925.88g/mol
  • Molecular Formula:C12H19NO2
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.8
  • Exact Mass:925.30044302
  • Monoisotopic Mass:925.30044302
  • Complexity:1970
  • Rotatable Bond Count:16
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:21
  • Topological Polar Surface Area:279
  • Heavy Atom Count:66
  • Defined Atom Stereocenter Count:12
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
3. Recommended Suppliers
Global5SuppliersView all >>
  • Tel:+86-21-51320588 ext. 8025
Wilfornine A
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/02/23
Inquire
  • Tel:86-28-85142057
Wilfornine A
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/02/23
Inquire
  • Tel:+86-21-67811725
Wilfornine A manufacturer
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/02/23
Inquire
  • Tel:+44 (0)208 191 7890
Wilfornine A
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/02/23
Inquire
Wilfornine A
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/04/01
Inquire