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Fmoc-D-Ala-OH (monohydrate)

CAT: 0127-OR1038724Size: 100 gDry Ice: NoHazardous: No
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CAT#:0127-OR1038724Size:100 g
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CAS Number
884880-37-9
MDL Number
MFCD00180722
Purity
97%
Smiles
C[C@H](C(O)=O)NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O.[H]O[H]

Chemical Information

Fmoc-D-Ala-OH.H2O
CAS Number884880-37-9
PubChem CID53486450
IUPAC Name(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrate
Molecular FormulaC18H19NO5
Molecular Weight329.3
Topological Polar Surface Area76.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity430
SMILES
C[C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13.O
InChI
InChI=1S/C18H17NO4.H2O/c1-11(17(20)21)19-18(22)23-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16;/h2-9,11,16H,10H2,1H3,(H,19,22)(H,20,21);1H2/t11-;/m1./s1
InChIKey
GAPWKFLOMOFHGO-RFVHGSKJSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-D-Ala-OH.H2O
CAS: 884880-37-9
CID: 53486450
Formula: C18H19NO5
MW: 329.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight329.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass329.12632271
Monoisotopic Mass329.12632271
Topological Polar Surface Area76.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity430
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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