Fmoc- (Nd-Boc) -D-ornithine

CAT: 1266-JH79834Size: 1 EachDry Ice: NoHazardous: No

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CAT#:1266-JH79834Size:1 Each

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CAS Number

118476-89-4

UN Code

UN 2925

Hazard Statement

Stability

Stable. Incompatible with strong acids.

Molecular Formula

C25H30N2O6

Molecular Weight

454.52

Product Name Synonym

(2R) -2- (9H-fluoren-9-ylmethoxycarbonylamino) -5-[ (2-methylpropan-2-yl) oxycarbonylamino]pentanoic acid

Physical Properties

Light yellow to beige flakes

Hazardous Class

4.1

Safety Statements

37/39-26

Density

1.226g/cm3

Flash Point

364.5oC

RIDADR

UN 2925

Melting Point

177-179oC

Chemical Information

Fmoc-D-Orn(Boc)-OH

CAS Number	118476-89-4
PubChem CID	13996154
IUPAC Name	(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Molecular Formula	C25H30N2O6
Molecular Weight	454.5
XLogP	4.1
Topological Polar Surface Area	114
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	11
Heavy Atom Count	33
Formal Charge	0
Complexity	669

SMILES

CC(C)(C)OC(=O)NCCC[C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

InChI

InChI=1S/C25H30N2O6/c1-25(2,3)33-23(30)26-14-8-13-21(22(28)29)27-24(31)32-15-20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20/h4-7,9-12,20-21H,8,13-15H2,1-3H3,(H,26,30)(H,27,31)(H,28,29)/t21-/m1/s1

InChIKey

JOOIZTMAHNLNHE-OAQYLSRUSA-N

Chemical Structure

2D Structure

CAS: 118476-89-4

CID: 13996154

Formula: C25H30N2O6

MW: 454.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	454.5
XLogP3	4.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	11
Exact Mass	454.21038668
Monoisotopic Mass	454.21038668
Topological Polar Surface Area	114 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	669
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Fmoc- (Nd-Boc) -D-ornithine

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