Products for Research Use Only
RegisterLogin

Discodermide

CAT: 0926-JFA45800-03Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-JFA45800-03Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
134458-00-7
MDL Number
MFCD00908362
Smiles
CN (C) C (=O) NCC1=CC=CO1
Molecular Formula
C27H34N2O6
Molecular Weight
482.60 g/mol
Controlled
No

Chemical Information

Discodermide
CAS Number134458-00-7
PubChem CID54720479
IUPAC Name(1Z,3E,19E)-2,25-dihydroxy-10-methyl-12-oxa-22,27-diazahexacyclo[24.2.1.05,17.08,16.09,14.011,13]nonacosa-1,3,19-triene-21,28,29-trione
Molecular FormulaC27H34N2O6
Molecular Weight482.6
XLogP2.3
Topological Polar Surface Area128
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count35
Formal Charge0
Complexity1030
SMILES
CC1C2C3CCC4/C=C/C(=C/5\C(=O)C(C(CCNC(=O)/C=C/CC4C3CC2C6C1O6)O)NC5=O)/O
InChI
InChI=1S/C27H34N2O6/c1-12-21-15-7-5-13-6-8-18(30)22-24(33)23(29-27(22)34)19(31)9-10-28-20(32)4-2-3-14(13)16(15)11-17(21)26-25(12)35-26/h2,4,6,8,12-17,19,21,23,25-26,30-31H,3,5,7,9-11H2,1H3,(H,28,32)(H,29,34)/b4-2+,8-6+,22-18-
InChIKey
FMGYABSXIBFKHP-HJOPEIERSA-N
Chemical Structure
2D Structure
2D structure of Discodermide
CAS: 134458-00-7
CID: 54720479
Formula: C27H34N2O6
MW: 482.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight482.6
XLogP32.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass482.24168681
Monoisotopic Mass482.24168681
Topological Polar Surface Area128 Ų
Heavy Atom Count35
Formal Charge0
Complexity1030
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count11
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
BEA93271Calyculin A from Discodermia calyx

Alternative Products

CatalogName
T126016-01Discodermide

Popular Products