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Home> Hot Product Listed A   > AKOS B013860
41753-43-9 structure

AKOS B013860

Iupac Name:2-[[6-[2-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CAS No.:41753-43-9
Molecular Weight:1109.307
Molecular Formula:C7H10N2O2 (isomer)
Names and Identifiers
Synonyms

(2rs)-2-(2-isopropylphenoxy)propionic acid 2-(2-isopropylphenoxy)propanoic acid 2-(2-isopropylphenoxy)propanoic acid(SALTDATA: FREE) 2-(2-isopropylphenoxy)propanoic acid, aldrichcpr 2-(2-isopropyl-phenoxy)-propionic acid 2-(2-propan-2-ylphenoxy)propanoic acid 2-[2-(methylethyl)phenoxy]propanoic acid 2-[2-(propan-2-yl)phenoxy]propanoic acid 5181AD AB0225074 AC1MWNE8 AK-60682 AKOS000130074 AKOS016353291 ALBB-000846 ART-CHEM-BB B013860 AS-871/43323382 BAS 13522240 BBL007611 bbv-010488 BG00922852 CHEMBRDG-BB 3013860 CTK4D0957 DTXSID90396287 HMS1700D05 KB-221080 KJOWLMCSCDFVCH-UHFFFAOYSA-N MCULE-4164981655 mfcd03422229 MOLPORT-000-889-523 SBB009318 SCHEMBL8935695 SP4222 ST064603 STK408775 TIMTEC-BB SBB009318 TR-051272 Y-0477 zx-an000837 zx-cm000897

Inchi
InChI=1S/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3
InChkey
GZYPWOGIYAIIPV-UHFFFAOYSA-N
Canonical Smiles
CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)C)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O)C
Isomers Smiles
CC(=CCCC(C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC
[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H](
[C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H]
(O7)COC8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)C
Properties
Melting Point
197.5°C
Boiling Point
309.7°C at 760 mmHg
Refractive Index
1.625
Flash Point
132.5°C
Safety and Handling
Risk Statements
R20/21/22
Safety Statements
S26;S36
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 41753-43-9 EC: AKOS B013860 ·ECHA C&L Inventory for CAS: CAS: 41753-43-9 EC: AKOS B013860
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

Acute toxicity - Inhalation, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H312 Harmful in contact with skin

H332 Harmful if inhaled

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

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

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

P321 Specific treatment (see ... on this label).

P362+P364 Take off contaminated clothing and wash it before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:1109.307g/mol
  • Molecular Formula:C7H10N2O2
  • Compound Is Canonicalized:True
  • Exact Mass:1108.603
  • Monoisotopic Mass:1108.603
  • Complexity:2000
  • Rotatable Bond Count:16
  • Hydrogen Bond Donor Count:15
  • Hydrogen Bond Acceptor Count:23
  • Topological Polar Surface Area:377A^2
  • Heavy Atom Count:77
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:30
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcfB8PgAAAAAAAAAAAAAAAAAAAYAAAAA0aNEiAAAAAGDAAAAAGgAACAAAD1SwgAMCCAAABgCA AiBCAAAAAAAgAAAACAAAAAgREAIAAQAiQAAFgAAPAAPA4PwPgAAAAAAAAADAAAYAADAAAQAACAAA AA==
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Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-1732-7098554
  • Fax:86-1732-7098554
  • Tel:86-28-85249238
  • Fax:86-28-85377358
  • Tel:86-312-18103315327
  • Fax:86-312-18103315327
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
 
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