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Fmoc-D-allo-Ile-OH

CAT: 0121-4018803.0005Size: 5 gDry Ice: NoHazardous: No
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CAT#:0121-4018803.0005Size:5 g
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CAS Number
118904-37-3
Specifications
B-2230.0005
Sequence
Fmoc-D-allo-Ile-OH
Molecular Formula
C₂₁H₂₃NO₄
Molecular Weight
353.42
Shipping Conditions
Ambient Temperature
Storage Temperature
Room temperature

Chemical Information

FMOC-D-allo-Isoleucine

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CAS Number118904-37-3
PubChem CID6992517
IUPAC Name(2R,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoic acid
Molecular FormulaC21H23NO4
Molecular Weight353.4
XLogP4.4
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity486
SMILES
CC[C@H](C)[C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
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
Chemical Structure
2D Structure
2D structure of FMOC-D-allo-Isoleucine
CAS: 118904-37-3
CID: 6992517
Formula: C21H23NO4
MW: 353.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight353.4
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass353.16270821
Monoisotopic Mass353.16270821
Topological Polar Surface Area75.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity486
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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