Products for Research Use Only
RegisterLogin

Eribulin Diol

CAT: 1596-AR-E02307-02Size: 25 UnitsDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1596-AR-E02307-02Size:25 Units
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
253128-15-3
Synonyms
(2R,3R,3aS,7R,8aS,9S,10aR,11S,12R,13aR,13bS,15S,18S,21S,24S,26R,28R,29aS) -2-[ (2S) -2,3-Dihydroxypropyl]hexacosahydro-3-methoxy-26-methyl-20,27-bis (methylene) -11,15:18,21:24,28-triepoxy-7,9-ethano-12,15-methano-9H,15H-furo[3,2-i]furo[2?,3?:5,6]pyrano[4,3-b][1,4]dioxacyclopentacosin-5 (4H) -one
Molecular Formula
C40H58O12
Molecular Weight
730.88
API Name
Erbulin

Chemical Information

ER-076349

structure in first source

CAS Number253128-15-3
PubChem CID11297138
IUPAC Name(1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-2,3-dihydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.13,32.13,33.16,9.112,16.018,22.029,36.031,35]hentetracontan-24-one
Molecular FormulaC40H58O12
Molecular Weight730.9
XLogP1.4
Topological Polar Surface Area141
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Heavy Atom Count52
Formal Charge0
Complexity1370
SMILES
C[C@@H]1C[C@@H]2CC[C@H]3C(=C)C[C@@H](O3)CC[C@]45C[C@@H]6[C@H](O4)[C@H]7[C@@H](O6)[C@@H](O5)[C@@H]8[C@@H](O7)CC[C@@H](O8)CC(=O)C[C@H]9[C@H](C[C@H](C1=C)O2)O[C@@H]([C@@H]9OC)C[C@@H](CO)O
InChI
InChI=1S/C40H58O12/c1-19-11-24-5-7-28-20(2)12-26(45-28)9-10-40-17-33-36(51-40)37-38(50-33)39(52-40)35-29(49-37)8-6-25(47-35)13-22(42)14-27-31(16-30(46-24)21(19)3)48-32(34(27)44-4)15-23(43)18-41/h19,23-39,41,43H,2-3,5-18H2,1,4H3/t19-,23+,24+,25-,26+,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39+,40+/m1/s1
InChIKey
SOGFSQSGBFDQFA-JBQZKEIOSA-N
Chemical Structure
2D Structure
2D structure of ER-076349
CAS: 253128-15-3
CID: 11297138
Formula: C40H58O12
MW: 730.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight730.9
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Exact Mass730.39282728
Monoisotopic Mass730.39282728
Topological Polar Surface Area141 Ų
Heavy Atom Count52
Formal Charge0
Complexity1370
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

Related Products

CatalogName
AR-E01694-01Eribulin
AR-E10216-01Eribulin Impurity 10
AR-E10214-01Eribulin Impurity 6
AR-E10237-01Eribulin Impurity 29
AR-E10231-01Eribulin Impurity 23
AR-E10210-01Eribulin Impurity 2
AR-E10240-01Eribulin Impurity 7
AR-E10241-01Eribulin Impurity 8
AR-E10239-01Eribulin Impurity 31
AR-E10236-01Eribulin Impurity 28

Alternative Products

CatalogName
MBS3603750Eribulin
BA2682-1GGFG-Eribulin
T201852-01Deruxtecan-Eribulin
MBS5771730VCP-Eribulin
A21589-50Eribulin 50mg
A21589-5Eribulin 5mg
A21589-1Eribulin 1mg
A21589-0.5Eribulin 500ug
GTR19240477-01VcMMAE-Eribulin
GTR18404282-01Eribulin Antibody

Popular Products