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Home> Hot Product Listed R   > Ruthenium,hexacarbonyldi-m-chlorodichlorodi-,stereoisomer (8CI,9CI)
1264-62-6 structure

Ruthenium,hexacarbonyldi-m-chlorodichlorodi-,stereoisomer (8CI,9CI)

Iupac Name:4-O-[(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyloxan-3-yl] 1-O-ethyl butanedioate
CAS No.:1264-62-6
Molecular Weight:862.064
Molecular Formula: (isomer)
Names and Identifiers
Synonyms

AKOS015833103 BG01183404 c6h2cl4o6ru2 dichlorocyclodiruthenachlorane-1,3-bis(ylium)-2,4-diuide hexacarbonyldi(chloro)dichlorodiruthenium(ii) hexacarbonyldi(m-chloro)dichlorodiruthenium (ii) hexacarbonyldi(mu-chloro)dichlorodiruthenium(ii) hexacarbonyl-di(my-chloro)dichlorodiruthenium(ii) Hexacarbonyldi-m-chlorodichlorodiruthenium hexakis(carbon monoxide) R745

Inchi
InChI=1S/C43H75NO16/c1-15-29-43(11,52)36(48)24(5)33(47)22(3)20-41(9,51)38(25(6)34(26(7)39(50)57-29)59-32-21-42(10,53-14)37(49)27(8)56-32)60-40-35(28(44(12)13)19-23(4)55-40)58-31(46)18-17-30(45)54-16-2/h22-29,32,34-38,40,48-49,51-52H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29-,32+,34+,35-,36-,37+,38-,40+,41-,42-,43-/m1/s1
InChkey
NSYZCCDSJNWWJL-YXOIYICCSA-N
Canonical Smiles
CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)OC(=O)CCC(=O)OCC)(C)O)C)C)O)(C)O
Isomers Smiles
CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H]
(C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H]
(C[C@H](O3)C)N(C)C)OC(=O)CCC(=O)OCC)(C)O)C)C)O)(C)O
Properties
Appearance
pale yellow crystals
Melting Point
219-224 C
Vapour
4.94E-31mmHg at 25°C
HS Code
29419000
Safety and Handling
Risk Statements
R42/43
Safety Statements
S36
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:862.064g/mol
  • Molecular Formula:
  • Compound Is Canonicalized:True
  • XLogP3-AA:3.4
  • Exact Mass:861.509
  • Monoisotopic Mass:861.509
  • Complexity:1450
  • Rotatable Bond Count:14
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:17
  • Topological Polar Surface Area:226A^2
  • Heavy Atom Count:60
  • Defined Atom Stereocenter Count:18
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcfB+PgAAAAAAAAAAAAAAAAAAAAAAAAAkSAAAAAAAAAAAAAAAHgAACAAADXzxgAcCCAMABgAI AICQCAAAAAAAAAAAAAEIAAATEBYAgAAnQAAHIAAXAAHL7PzOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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