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(3S,6R) -Lateritin

CAT: 0862-GL6358-1mgSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0862-GL6358-1mgSize:1 mg
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CAS Number
172721-98-1
Molecular Formula
C15H19NO3
Molecular Weight
261.3
Storage Conditions
-20°C
Hazardous Class
Not hazardous

Chemical Information

(3r,6r)-3-Benzyl-6-isopropyl-4-methylmorpholine-2,5-dione
CAS Number172721-98-1
PubChem CID10084008
IUPAC Name(3R,6R)-3-benzyl-4-methyl-6-propan-2-ylmorpholine-2,5-dione
Molecular FormulaC15H19NO3
Molecular Weight261.32
XLogP2.8
Topological Polar Surface Area46.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity347
SMILES
CC(C)[C@@H]1C(=O)N([C@@H](C(=O)O1)CC2=CC=CC=C2)C
InChI
InChI=1S/C15H19NO3/c1-10(2)13-14(17)16(3)12(15(18)19-13)9-11-7-5-4-6-8-11/h4-8,10,12-13H,9H2,1-3H3/t12-,13-/m1/s1
InChIKey
YOKBTBNVNCFOBF-CHWSQXEVSA-N
Chemical Structure
2D Structure
2D structure of (3r,6r)-3-Benzyl-6-isopropyl-4-methylmorpholine-2,5-dione
CAS: 172721-98-1
CID: 10084008
Formula: C15H19NO3
MW: 261.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight261.32
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass261.13649347
Monoisotopic Mass261.13649347
Topological Polar Surface Area46.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity347
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

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