Products for Research Use Only
RegisterLogin

Bigchap

CAT: 0127-OR8501TSize: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-OR8501TSize:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
86303-22-2
Synonyms
N, N-Bis3-D-gluconamidopropyl-cholamide
MDL Number
MFCD00082541
Purity
≥95%
Smiles
C[C@H] (CCC (=O) N (CCCNC (=O) [C@H] (O) [C@@H] (O) [C@H] (O) [C@H] (O) CO) CCCNC (=O) [C@H] (O) [C@@H] (O) [C@H] (O) [C@H] (O) CO) [C@H]1CC[C@H]2[C@@H]3[C@H] (O) C[C@@H]4C[C@H] (O) CC[C@]4 (C) [C@H]3C[C@H] (O) [C@]12C
Notes
Homogeneous nonionic detergent with bile acid hydrophobic group.

Chemical Information

N,N-Bis(3-(D-gluconamido)propyl)cholamide
CAS Number86303-22-2
PubChem CID9919170
IUPAC Name(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-[3-[3-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]propyl-[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propyl]hexanamide
Molecular FormulaC42H75N3O16
Molecular Weight878.1
XLogP-3.5
Topological Polar Surface Area342
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count16
Rotatable Bond Count22
Heavy Atom Count61
Formal Charge0
Complexity1380
SMILES
C[C@H](CCC(=O)N(CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
InChI
InChI=1S/C42H75N3O16/c1-21(24-7-8-25-32-26(18-30(52)42(24,25)3)41(2)11-10-23(48)16-22(41)17-27(32)49)6-9-31(53)45(14-4-12-43-39(60)37(58)35(56)33(54)28(50)19-46)15-5-13-44-40(61)38(59)36(57)34(55)29(51)20-47/h21-30,32-38,46-52,54-59H,4-20H2,1-3H3,(H,43,60)(H,44,61)/t21-,22+,23-,24-,25+,26+,27-,28-,29-,30+,32+,33-,34-,35+,36+,37-,38-,41+,42-/m1/s1
InChIKey
ZWEVPYNPHSPIFU-AUGHYPCGSA-N
Chemical Structure
2D Structure
2D structure of N,N-Bis(3-(D-gluconamido)propyl)cholamide
CAS: 86303-22-2
CID: 9919170
Formula: C42H75N3O16
MW: 878.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight878.1
XLogP3-3.5
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count16
Rotatable Bond Count22
Exact Mass877.51473331
Monoisotopic Mass877.51473331
Topological Polar Surface Area342 Ų
Heavy Atom Count61
Formal Charge0
Complexity1380
Isotope Atom Count0
Defined Atom Stereocenter Count19
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TRC-D232500-10GDeoxy-Bigchap
B043-12BIGCHAP, 5 g
B043-10BIGCHAP, 1 g
D045-08Deoxy-BIGCHAP, 500 mg
B2180-01N, n-Bis[3-D-Gluconamidopropyl]cholamide (BIGCHAP)
MBS653480-01n,n-Bis[3-D-Gluconamidopropyl]cholamide (BIGCHAP)
MBS653481-01Deoxy-Bigchap (N,N-Bis[3-D-gluconamidopropyl]-deoxycholamide)
D3166-50Deoxy-Bigchap (N, N-Bis[3-D-gluconamidopropyl]-deoxycholamide_x000B_ discontinued. See 271458)

Popular Products