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103213-32-7 structure

FMOC-S-trityl-L-cysteine

Iupac Name:(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-tritylsulfanylpropanoic
acid
CAS No.:103213-32-7
EINECS(EC#): 600-408-4
Molecular Weight:585.71134
Molecular Formula:C37H31NO4S (isomer)
1. Names and Identifiers
1.1 Synonyms

(2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-[(triphenylmethyl)sulfanyl]propanoic acid (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-tritylsulfanyl-propanoate (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-tritylsulfanylpropanoic acid (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-tritylsulfanyl-propanoic acid (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-tritylsulfanyl-propanoate (R)-2-(((9H-fluoren-9-yl)methoxy)carbonyl)-3-(tritylthio)propanoic acid (R)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-(tritylthio)propanoic acid 103213-32-7 2(R)-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-tritylsulfanyl-propionic acid 213F327 AB0012529 AC-10507 AC-12310 AK-46031 AKOS015924131 AM81677 ANW-14816 BBL103590 BDBM50213734 C-23287 CHEMBL396414 CS-W007798 CTK0H6798 DB-029846 DTXSID70145699 F0652 Fmoc-Cyc(Trt)-OH Fmoc-Cys(trt) Fmoc-Cys(trt) )-OH Fmoc-Cys(Trt)-OH Fmoc-Cys(Trt)-OH, >=95.0% (sum of enantiomers, HPLC) FMOC-CYS(TRT)-OH, 98+% FMOC-CYSTEINE(TRT)-OH FMOC-L-CYS(TRITYL) FMOC-L-CYS(TRT) Fmoc-L-Cys(Trt)-OH FMOC-L-CYSTEINE (TRT) FMOC-L-CYSTEINE(TRITYL) Fmoc-S-trityl-cys Fmoc-S-Trityl-Cys-OH FMOC-S-trityl-L-cysteine J-300088 KS-00000AD0 KSC176O9R L-Cysteine, N-((9H-fluoren-9-ylmethoxy)carbonyl)-S-(triphenylmethyl)- L-Cysteine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-S-(triphenylmethyl)- L-Cysteine-3,3-D2-N-FMOC-S-Trityl L-Cysteine-N-FMOC-UL-13C3, 15N, S-Trityl M03395 MCULE-1796690263 MFCD00038538 N-(9-Fluorenyl methoxy carbonyl)-S-trityl-L-cysteine N-(9-FLUORENYLMETHOXYCARBONYL)-S- N-(9-Fluorenylmethoxycarbonyl)-S-trityl-L-cystei N-(9-Fluorenylmethoxycarbonyl)-S-trityl-L-cysteine n-(alpha)-fluorenylmethyloxycarbonyl-s-tritylcysteine N(alpha)-Fluorenylmethyloxycarbonyl-S-tritylcysteine N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-S-(triphenylmethyl)-L-cysteine N-[(9H-fluoren-9-ylmethoxy)carbonyl]-S-trityl-L-cysteine N-9-Fluorenylmethyloxycarbonyl-S-trityl-L-cysteine Na-Fmoc-Ng-trityl-L-glutamine N-alpha-(9-Fluorenylmethoxycarbonyl)-S-trityl-L-cysteine Nalpha-(9-Fluorenylmethoxycarbonyl)-S-trityl-L-cysteine N-Fmoc-S-trityl-L-Cysteine PubChem10010 SC-00132 SCHEMBL1738641 STL557400 STR09764 S-Trityl-L-cysteine, N-FMOC protected ZINC4284046 ZX-AT009206

1.2 Inchi
InChI=1/C37H31NO4S/c39-35(40)34(38-36(41)42-24-33-31-22-12-10-20-29(31)30-21-11-13-23-32(30)33)25-43-37(26-14-4-1-5-15-26,27-16-6-2-7-17-27)28-18-8-3-9-19-28/h1-23,33-34H,24-25H2,(H,38,41)(H,39,40)/t34-/m0/s1
1.3 InChkey
KLBPUVPNPAJWHZ-UMSFTDKQSA-N
1.4 Canonical Smiles
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
1.5 Isomers Smiles
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)NC(=O)OCC4C5=CC=
CC=C5C6=CC=CC=C46
2. 3D Conformer
3. Properties
3.1 Appearance
White to almost whitePowder
3.2 Density
1.27
3.3 Melting Point
172-177℃
3.4 Boiling Point
763.4 °C at 760 mmHg
3.5 Vapour
1.68E-24mmHg at 25°C
3.6 Refractive Index
18 ° (C=1, THF)
3.7 Flash Point
415.5 °C
3.8 Alpha
16 o (C=1, THF)
3.9 HS Code
29309090
3.10 Storage temp
2-8°C
4. Safety and Handling
4.1 Hazard Codes
Xi
4.2 Risk Statements
R36/37/38
4.3 Safety Statements
S22;S24/25
4.4 Safety

Hazard Codes:?IrritantXi
Risk Statements: 36/37/38?
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 22-24/25-26?
S22:Do not breathe dust.?
S24/25:Avoid contact with skin and eyes.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
F: 9-21
Hazard Note: Irritant

4.5 Toxicity

?Fmoc-Cys(Trt)-OH (CAS NO.103213-32-7)?hasn't been listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65. And the toxicological properties have not been fully investigated.

4.6 Specification

?Fmoc-Cys(Trt)-OH , its cas register number is 103213-32-7. It also can be called?2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-3-(tritylthio)propanoic acid; Fmoc-Cys(Trt)-OH .
?Fmoc-Cys(Trt)-OH (CAS NO.103213-32-7) could be stable. It should avoid the condition like incompatible materials. It is not compatible with strong oxidizing agents, acids, acid chlorides, carbon dioxide, acid anhydrides. And also prevent it to broken down into hazardous decomposition products: carbon monoxide, oxides of nitrogen, oxides of sulfur, carbon dioxide. However, its hazardous polymerization will not occur.

5. 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

7. Precursor and Product
8. Computational chemical data
  • Molecular Weight:585.71134g/mol
  • Molecular Formula:C37H31NO4S
  • Exact Mass:585.197379
  • Monoisotopic Mass:585.197379
  • Complexity:841
  • Rotatable Bond Count:11
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:101
  • Heavy Atom Count:43
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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