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Fmoc-D-allo-Thr-OH

CAT: 0121-4027554.0005Size: 5 gDry Ice: NoHazardous: No
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CAT#:0121-4027554.0005Size:5 g
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CAS Number
130674-54-3
Specifications
B-3090.0005
Sequence
Fmoc-D-allo-Thr-OH
Molecular Formula
C₁₉H₁₉NO₅
Molecular Weight
341.36
Shipping Conditions
Ambient Temperature
Storage Temperature
Room temperature

Chemical Information

Fmoc-D-allo-Thr-OH
CAS Number130674-54-3
PubChem CID6992534
IUPAC Name(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoic acid
Molecular FormulaC19H19NO5
Molecular Weight341.4
XLogP2.4
Topological Polar Surface Area95.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity474
SMILES
C[C@H]([C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)O
InChI
InChI=1S/C19H19NO5/c1-11(21)17(18(22)23)20-19(24)25-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16-17,21H,10H2,1H3,(H,20,24)(H,22,23)/t11-,17-/m1/s1
InChIKey
OYULCCKKLJPNPU-PIGZYNQJSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-D-allo-Thr-OH
CAS: 130674-54-3
CID: 6992534
Formula: C19H19NO5
MW: 341.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight341.4
XLogP32.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass341.12632271
Monoisotopic Mass341.12632271
Topological Polar Surface Area95.9 Ų
Heavy Atom Count25
Formal Charge0
Complexity474
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes