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Fmoc-Dap (ivDde) -OH

CAT: 0121-4054323.0005Size: 5 gDry Ice: NoHazardous: No
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CAT#:0121-4054323.0005Size:5 g
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CAS Number
607366-20-1
Specifications
B-3885.0005
Sequence
Fmoc-Dap (ivDde) -OH
Molecular Formula
C₃₁H₃₆N₂O₆
Molecular Weight
532.64
Shipping Conditions
Ambient Temperature
Storage Temperature
+5 ± 3 °C

Chemical Information

Fmoc-Dap(ivDde)-OH
CAS Number607366-20-1
PubChem CID135742628
IUPAC Name(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3-methylbutylidene]amino]propanoic acid
Molecular FormulaC31H36N2O6
Molecular Weight532.6
XLogP4.8
Topological Polar Surface Area125
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count39
Formal Charge0
Complexity977
SMILES
CC(C)CC(=NC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C4=C(CC(CC4=O)(C)C)O
InChI
InChI=1S/C31H36N2O6/c1-18(2)13-24(28-26(34)14-31(3,4)15-27(28)35)32-16-25(29(36)37)33-30(38)39-17-23-21-11-7-5-9-19(21)20-10-6-8-12-22(20)23/h5-12,18,23,25,34H,13-17H2,1-4H3,(H,33,38)(H,36,37)/t25-/m0/s1
InChIKey
LCZQXABUYLYUPK-VWLOTQADSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-Dap(ivDde)-OH
CAS: 607366-20-1
CID: 135742628
Formula: C31H36N2O6
MW: 532.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight532.6
XLogP34.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass532.25733687
Monoisotopic Mass532.25733687
Topological Polar Surface Area125 Ų
Heavy Atom Count39
Formal Charge0
Complexity977
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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