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Fmoc-Met (O₂) -OH

CAT: 0121-4013865.0001Size: 1 gDry Ice: NoHazardous: No
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CAS Number
163437-14-7
Specifications
B-1905.0001
Sequence
Fmoc-Met (O₂) -OH
Molecular Formula
C₂₀H₂₁NO₆S
Molecular Weight
403.46
Shipping Conditions
Ambient Temperature
Storage Temperature
Room temperature

Chemical Information

Fmoc-met(O2)-OH

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CAS Number163437-14-7
PubChem CID7016362
IUPAC Name(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylsulfonylbutanoic acid
Molecular FormulaC20H21NO6S
Molecular Weight403.5
XLogP2.4
Topological Polar Surface Area118
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count28
Formal Charge0
Complexity651
SMILES
CS(=O)(=O)CC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C20H21NO6S/c1-28(25,26)11-10-18(19(22)23)21-20(24)27-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3,(H,21,24)(H,22,23)/t18-/m0/s1
InChIKey
KJLKPACOHZKRFM-SFHVURJKSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-met(O2)-OH
CAS: 163437-14-7
CID: 7016362
Formula: C20H21NO6S
MW: 403.5
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight403.5
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass403.10895856
Monoisotopic Mass403.10895856
Topological Polar Surface Area118 Ų
Heavy Atom Count28
Formal Charge0
Complexity651
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes