Basic information
- CAS
118904-37-3- Standard SMILES
CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O- InChIKey
QXVFEIPAZSXRGM-ORAYPTAESA-N- Molecular formula
- C21H23NO4
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.16270821
Overview
See other relationships...
Names & identifiers
- Preferred name
- FMOC-D-allo-Isoleucine
- IUPAC
- (2R,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoic acid
- English name
- FMOC-D-ALLO-ILE-OH
- Molecular formula
- C21H23NO4
- Molecular weight
- 353.41
Names & synonyms
FMOC-D-allo-IsoleucineDTXSID30426315RefChem:1085476DTXCID60377149Fmoc-d-allo-ile-oh118904-37-3MFCD00077062N-(9-Fluorenylmethyloxycarbonyl)-D-allo-isoleucine(2R,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoic acid(2R,3S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-methylpentanoic acidD-Alloisoleucine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-(2R,3S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylpentanoic acid
Show more names
Fmoc-D-allo-lle-OHFmoc-D-A11o-Ile-OHD-N-FMOC-ALLOISOLEUCINEN-Fmoc-D-allo-isoleucine,98%FMOC-D-ALLO-ILE-OH USP/EP/BPN-Fmoc-D-allo-isoleucine,97%N-FMoc-D-allo-isoleucine, 98%
(2R,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-pentanoic acidFMOC-(2R,3S)-2-amino-3-methylpentanoic acid(((9H-Fluoren-9-yl)methoxy)carbonyl)-D-alloisoleucineFmoc-D-alloisoleucine79JE8ZZ3J5SCHEMBL25718134SCHEMBL29398212QXVFEIPAZSXRGM-ORAYPTAESA-N
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
- 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.
- pka
- 3.92 · 3.92±0.22(Predicted)
- form
- Solid
- color
- White to off-white
- optical activity
- Consistent with structure
- Water Solubility
- Slightly soluble in water.
- 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+/m0/s1
- InChIKey
- QXVFEIPAZSXRGM-ORAYPTAESA-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
- 118904 · 118904-37-3
- Symbol(GHS)
- 7 · GHS07
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H315-H319
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesFmoc-D-Allo-Ile-OH is used in preparation of Cyclopeptides simulating natural product structures.
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
成都翰唯生物科技有限公司17360178904 18217049878 · [email protected]
Hangzhou Go Top Peptide Biotech0571-88211921 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
Related reactions
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Compound notes
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