Basic information
- CAS
251316-98-0- Standard SMILES
CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O- InChIKey
QXVFEIPAZSXRGM-YJYMSZOUSA-N- Molecular formula
- C21H23NO4
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.16270821
Names & identifiers
- Preferred name
- N-((9H-Fluoren-9-ylmethoxy)carbonyl)-L-alloisoleucine
- IUPAC
- (2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoic acid
- English name
- Fmoc-L-allo-isoleucine
- Molecular formula
- C21H23NO4
- Molecular weight
- 353.41
Names & synonyms
251316-98-0FMOC-L-allo-IsoleucineM4WX7N7YYGDTXSID701214047N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-alloisoleucineN-((9H-Fluoren-9-ylmethoxy)carbonyl)-L-alloisoleucineRefChem:1090713DTXCID201645394Fmoc-allo-ile-oh(2S,3R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-methylpentanoic acidFmoc-L-alloisoleucineMFCD01631976
Show more names
Fmoc-allo-lle-OHFmoc-L-allo-lle-OHFmoc-allo-L-Ile-OHFmoc-L-allo-isoleucine USP/EP/BPFmoc-L-allo-isoleucine≥ 99% (Chiral HPLC)Fmoc-(2S,3R)-2-amino-3-methylpentanoic acid
(((9H-fluoren-9-yl)methoxy)carbonyl)-L-alloisoleucineL-Alloisoleucine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-pentanoic acid(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoic acid(2S,3R)-2-(9H-Fluoren-9-ylmethoxycarboylamino)-3-methylpentanoic acid(2S,3R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylpentanoic acidFmoc-L-allo-Ile-OHN-Fmoc-L-alloisoleucine
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
- 139 · 139-145°C
- Boiling point
- 559.8 · 559.8±33.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), DMF (Slightly), DMSO (Slightly)
- pka
- 3.92 · 3.92±0.22(Predicted)
- form
- Solid
- color
- White
- 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-YJYMSZOUSA-N
- SMILES
- C(O)(=O)[C@H]([C@H](C)CC)NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- hs_code
- 2924297099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesFmoc-allo-ile-oh is used in preparation of Cyclic peptide antibiotics.
Suppliers71 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
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]
江苏生康迈翔科技有限公司18217475093 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
成都翰唯生物科技有限公司17360178904 18217049878 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海嘉莱多生物技术有限责任公司021-61732478 19946252459 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
南京药石科技股份有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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