Products for Research Use Only
RegisterLogin

Rauvotetraphylline A

CAT: 0926-XGC50649-04Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-XGC50649-04Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1422506-49-7
MDL Number
MFCD28100693
Smiles
CC=C (CO) C1CC2C3=C (CC (C1CO) N2C) C4=C (N3) C=CC (=C4) O
Molecular Formula
C20H26N2O3
Molecular Weight
342.4 g/mol
Controlled
No

Chemical Information

Rauvotetraphylline A
CAS Number1422506-49-7
PubChem CID131847914
IUPAC Name(1S,12S,13S,14R)-14-[(E)-1-hydroxybut-2-en-2-yl]-13-(hydroxymethyl)-16-methyl-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-7-ol
Molecular FormulaC20H26N2O3
Molecular Weight342.4
XLogP1.9
Topological Polar Surface Area79.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity525
SMILES
C/C=C(/CO)\[C@@H]1C[C@H]2C3=C(C[C@@H]([C@H]1CO)N2C)C4=C(N3)C=CC(=C4)O
InChI
InChI=1S/C20H26N2O3/c1-3-11(9-23)13-7-19-20-15(8-18(22(19)2)16(13)10-24)14-6-12(25)4-5-17(14)21-20/h3-6,13,16,18-19,21,23-25H,7-10H2,1-2H3/b11-3-/t13-,16-,18-,19-/m0/s1
InChIKey
MVGDPTFDPKCFEM-BKRWUIHZSA-N
Chemical Structure
2D Structure
2D structure of Rauvotetraphylline A
CAS: 1422506-49-7
CID: 131847914
Formula: C20H26N2O3
MW: 342.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight342.4
XLogP31.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass342.19434270
Monoisotopic Mass342.19434270
Topological Polar Surface Area79.7 Ų
Heavy Atom Count25
Formal Charge0
Complexity525
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TN4895Rauvotetraphylline A
HY-N1358Rauvotetraphylline C
HY-N1357Rauvotetraphylline E
TN4896Rauvotetraphylline B
GTR19233063-01Rauvotetraphylline D

Popular Products