Products for Research Use Only

L-Cis-3,4-MPDC

CAT: 0572-TRC-M429890-100MGSize: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-M429890-100MGSize:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
159346-70-0
Hazard Statement
No Data Available
Smiles
OC(=O)[C@H]1NC[C@H]2[C@@H]1[C@@H]2C(=O)O
Molecular Formula
C7 H9 N O4
Molecular Weight
171.151
InChI
InChI=1S/C7H9NO4/c9-6(10)4-2-1-8-5(3(2)4)7(11)12/h2-5,8H,1H2,(H,9,10)(H,11,12)/t2-,3+,4+,5-/m0/s1
Additionnal Information
IUPAC name: (1R,2S,5S,6R)-3-azabicyclo[3.1.0]hexane-2,6-dicarboxylic acid
Shipping Conditions
Room Temperature

Chemical Information

L-Cis-3,4-MPDC
CAS Number159346-70-0
PubChem CID10329748
IUPAC Name(1R,2S,5S,6R)-3-azabicyclo[3.1.0]hexane-2,6-dicarboxylic acid
Molecular FormulaC7H9NO4
Molecular Weight171.15
XLogP-3.3
Topological Polar Surface Area86.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity252
SMILES
C1[C@H]2[C@H]([C@@H]2C(=O)O)[C@H](N1)C(=O)O
InChI
InChI=1S/C7H9NO4/c9-6(10)4-2-1-8-5(3(2)4)7(11)12/h2-5,8H,1H2,(H,9,10)(H,11,12)/t2-,3+,4+,5-/m0/s1
InChIKey
UNNFLFDQCHJXPI-RSJOWCBRSA-N
Chemical Structure
2D Structure
2D structure of L-Cis-3,4-MPDC
CAS: 159346-70-0
CID: 10329748
Formula: C7H9NO4
MW: 171.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight171.15
XLogP3-3.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass171.05315777
Monoisotopic Mass171.05315777
Topological Polar Surface Area86.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity252
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes