Products for Research Use Only
RegisterLogin

Calystegine B2

CAT: 0926-MC03733-02Size: 2 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-MC03733-02Size:2 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
127414-85-1
Synonyms
(1R,2S,3R,4S,5R) -8-Azabicyclo[3.2.1]octane-1,2,3,4-tetrol; Nortropanoline
MDL Number
MFCD28988579
Smiles
O[C@]12N[C@] (CC1) ([C@H] (O) [C@@H] (O) [C@@H]2O) [H]
Molecular Formula
C7H13NO4
Molecular Weight
175.19 g/mol
Controlled
No

Chemical Information

Calystegine B2

calystegine B2 has been reported in Duboisia leichhardtii, Morus alba, and other organisms with data available.

CAS Number127414-85-1
PubChem CID124434
IUPAC Name(1R,2S,3R,4S,5R)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol
Molecular FormulaC7H13NO4
Molecular Weight175.18
XLogP-2.4
Topological Polar Surface Area93
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity200
SMILES
C1C[C@]2([C@H]([C@@H]([C@H]([C@@H]1N2)O)O)O)O
InChI
InChI=1S/C7H13NO4/c9-4-3-1-2-7(12,8-3)6(11)5(4)10/h3-6,8-12H,1-2H2/t3-,4+,5-,6+,7-/m1/s1
InChIKey
FXFBVZOJVHCEDO-IBISWUOJSA-N
Chemical Structure
2D Structure
2D structure of Calystegine B2
CAS: 127414-85-1
CID: 124434
Formula: C7H13NO4
MW: 175.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight175.18
XLogP3-2.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass175.08445790
Monoisotopic Mass175.08445790
Topological Polar Surface Area93 Ų
Heavy Atom Count12
Formal Charge0
Complexity200
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
MC45218-01Calystegine A3
XC175857Calystegine C1
CHA79404-01Calystegine A6
QHA95744-01Calystegine C2
MC58304Calystegine A5
MC58302Calystegine N1
MC58305Calystegine B1
MC09819-01Calystegine B3
XC181122-01Calystegine B4, 95% min
FDA92852-01Vineomycin B2

Alternative Products

CatalogName
T126110-01Calystegine B1
T125557-01Calystegine A6
T125554-01Calystegine B3
T126061-01Calystegine A3
MBS5791111Calystegine A5
MBS5791032Calystegine N1
TRC-C148950-25MG(+)-Calystegine A3
MBS5790957Calystegine C2
MBS5790917Calystegine A7
GTR19228397-01Calystegine B4

Popular Products