Fmoc-D-Dap-OH

CAT: 0024-sc-294800ASize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-294800ASize:5 g

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CAS Number

251317-00-7

Chemical Information

3-Amino-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-alanine

CAS Number	251317-00-7
PubChem CID	688639
IUPAC Name	(2R)-3-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Molecular Formula	C18H18N2O4
Molecular Weight	326.3
XLogP	-0.5
Topological Polar Surface Area	102
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	24
Formal Charge	0
Complexity	448

SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CN)C(=O)O

InChI

InChI=1S/C18H18N2O4/c19-9-16(17(21)22)20-18(23)24-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10,19H2,(H,20,23)(H,21,22)/t16-/m1/s1

InChIKey

HDSLKWZYHRLRRL-MRXNPFEDSA-N

Chemical Structure

2D Structure

CAS: 251317-00-7

CID: 688639

Formula: C18H18N2O4

MW: 326.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	326.3
XLogP3	-0.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	326.12665706
Monoisotopic Mass	326.12665706
Topological Polar Surface Area	102 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	448
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