Products for Research Use Only
RegisterLogin

Ansamitocin P-3

CAT: 0024-sc-471420Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0024-sc-471420Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
66547-09-9

Chemical Information

Maytansinol butyrate

See also: Ansamitocin P 3' (annotation moved to) ... View More ...

CAS Number66547-09-9
PubChem CID6446789
IUPAC Name[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] butanoate
Molecular FormulaC32H43ClN2O9
Molecular Weight635.1
XLogP2.9
Topological Polar Surface Area136
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count44
Formal Charge0
Complexity1130
SMILES
CCCC(=O)O[C@H]1CC(=O)N(C2=C(C(=CC(=C2)C/C(=C/C=C/[C@H]([C@]3(C[C@@H]([C@H]([C@H]4[C@]1(O4)C)C)OC(=O)N3)O)OC)/C)OC)Cl)C
InChI
InChI=1S/C32H43ClN2O9/c1-8-10-27(37)43-25-16-26(36)35(5)21-14-20(15-22(40-6)28(21)33)13-18(2)11-9-12-24(41-7)32(39)17-23(42-30(38)34-32)19(3)29-31(25,4)44-29/h9,11-12,14-15,19,23-25,29,39H,8,10,13,16-17H2,1-7H3,(H,34,38)/b12-9+,18-11+/t19-,23+,24-,25+,29+,31+,32+/m1/s1
InChIKey
WLKHTIAFMSHJLG-BYXOJEECSA-N
Chemical Structure
2D Structure
2D structure of Maytansinol butyrate
CAS: 66547-09-9
CID: 6446789
Formula: C32H43ClN2O9
MW: 635.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight635.1
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass634.2657086
Monoisotopic Mass634.2657086
Topological Polar Surface Area136 Ų
Heavy Atom Count44
Formal Charge0
Complexity1130
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
sc-365465 PP-PDGFR-β (H-3) P
sc-377513 PP-Bcl-2 (A-3) P
sc-377547 PP-EGFR (F-3) P
sc-377524 PP-Rb (C-3) P
sc-365786 PP-NFATc3 (C-3) P
sc-365564 PP-VASP (F-3) P
sc-373806 PP-PFKFB2 (B-3) P
sc-377573 PP-PTEN (H-3) P
sc-377570 PP-gp130 (D-3) P
sc-377553 PP-p53 (B-3) P

Alternative Products

CatalogName
bs-82432C-01Ansamitocin P3
A3183-10Ansamitocin P-3
HY-19839Ansamitocin P 3'
408085Ansamitocin P-3'

Popular Products