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Fmoc-Asp (OMpe) -OH

CAT: 0121-4033988.0001Size: 1 gDry Ice: NoHazardous: No
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CAT#:0121-4033988.0001Size:1 g
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CAS Number
180675-08-5
Specifications
B-3560.0001
Sequence
Fmoc-Asp (OMpe) -OH
Molecular Formula
C₂₅H₂₉NO₆
Molecular Weight
439.51
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

(2S)-2-({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)-4-[(3-methylpentan-3-yl)oxy]-4-oxobutanoic acid
CAS Number180675-08-5
PubChem CID56777270
IUPAC Name(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(3-methylpentan-3-yloxy)-4-oxobutanoic acid
Molecular FormulaC25H29NO6
Molecular Weight439.5
XLogP4.6
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count32
Formal Charge0
Complexity653
SMILES
CCC(C)(CC)OC(=O)C[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C25H29NO6/c1-4-25(3,5-2)32-22(27)14-21(23(28)29)26-24(30)31-15-20-18-12-8-6-10-16(18)17-11-7-9-13-19(17)20/h6-13,20-21H,4-5,14-15H2,1-3H3,(H,26,30)(H,28,29)/t21-/m0/s1
InChIKey
SYGKUYKLHYQKPL-NRFANRHFSA-N
Chemical Structure
2D Structure
2D structure of (2S)-2-({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)-4-[(3-methylpentan-3-yl)oxy]-4-oxobutanoic acid
CAS: 180675-08-5
CID: 56777270
Formula: C25H29NO6
MW: 439.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight439.5
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass439.19948764
Monoisotopic Mass439.19948764
Topological Polar Surface Area102 Ų
Heavy Atom Count32
Formal Charge0
Complexity653
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

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