Basic information
- CAS
143688-83-9- Standard SMILES
CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O- InChIKey
QXVFEIPAZSXRGM-BFUOFWGJSA-N- Molecular formula
- C21H23NO4
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.16270821
Names & identifiers
- Preferred name
- (2R,3R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylpentanoic acid
- IUPAC
- (2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoic acid
- English name
- Fmoc-D-Ile-OH
- Molecular formula
- C21H23NO4
- Molecular weight
- 353.41
Names & synonyms
143688-83-9(2R,3R)-2-((((9H-FLUOREN-9-YL)METHOXY)CARBONYL)AMINO)-3-METHYLPENTANOIC ACID(2R,3R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylpentanoic acidRefChem:397478812-041-9Fmoc-D-isoleucineFmoc-D-Ile-OHFmoc-D-lle-OHN-Fmoc-D-isoleucineD-Isoleucine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-MFCD00080291(2R,3r)-2-(9h-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoic acid
Show more names
FMOC-D-ILEFmoc-L-isoleucineFmoc-D-ILFmoc-D-lIe-OHFmoc-D-Ile-OH, 98.5%N-α-Fmoc-D-isoleucine
(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-pentanoic acidM03364(((9H-Fluoren-9-yl)methoxy)carbonyl)-D-isoleucine6G9MH85SQTSCHEMBL118209SCHEMBL29398684SCHEMBL30896048QXVFEIPAZSXRGM-BFUOFWGJSA-N
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 486
Physicochemical properties
- Melting point
- 143 · 143-145°C
- Boiling point
- 559.8 · 559.8±33.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Powder
- pka
- 3.92 · 3.92±0.22(Predicted)
- color
- White to off-white
- optical activity
- Consistent with structure
- Major Application
- peptide synthesis
- InChI
- InChI=1S/C21H23NO4/c1-3-13(2)19(20(23)24)22-21(25)26-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18-19H,3,12H2,1-2H3,(H,22,25)(H,23,24)/t13-,19-/m1/s1
- InChIKey
- QXVFEIPAZSXRGM-BFUOFWGJSA-N
- SMILES
- C(O)(=O)[C@@H]([C@H](C)CC)NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O
- CAS DataBase Reference
- 143688 · 143688-83-9(CAS DataBase Reference)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.
Warning
H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)
Safety data
- F
- 10
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 2924 29 70
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H304-H312+H332-H315-H319-H335
- Precautionary statements
- P261-P264b-P271-P280-P301+P310-P302+P352-P304+P340-P305+P351+P338-P312-P331-P362+P364-P403+P233-P501c
Chemistry & industry
Applications
UsesN-Fmoc-D-isoleucine is the N-Fmoc-protected form of D-Isoleucine (I820210). D-Isoleucine is not biosynthesized in the human body and is therefore categorized as an essential amino acid that must be obtained through diet. It is also an important building block that is used in the formation of hemoglobin in humans.
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海嘉莱多生物技术有限责任公司021-61732478 19946252459 · [email protected]
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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