Epothilone D1

CAT: 0931-T82453-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-T82453-01Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

252917-35-4

Target

Others

Related Pathways

Others

Bioactivity

Epothilone D1, a naturally derived isolate, exhibits cytotoxic effects on mouse fibroblasts.

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C[C@H]1CC(CCC/C(=C\C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)C)O)/C(=C/C2=CSC(=N2)C)/C)/C)C

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Epothilone D1

Epothilone D1 is a macrolide.

CAS Number	252917-35-4
PubChem CID	23242269
IUPAC Name	(4S,7R,8S,9S,15Z,18S)-4,8-dihydroxy-5,7,9,11,15-pentamethyl-18-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclooctadec-15-ene-2,6-dione
Molecular Formula	C29H45NO5S
Molecular Weight	519.7
XLogP	6
Topological Polar Surface Area	125
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Heavy Atom Count	36
Formal Charge	0
Complexity	797

SMILES

C[C@H]1CC(CCC/C(=C\C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)C)O)/C(=C/C2=CSC(=N2)C)/C)/C)C

InChI

InChI=1S/C29H45NO5S/c1-17-9-8-10-18(2)13-20(4)28(33)22(6)29(34)21(5)25(31)15-27(32)35-26(12-11-17)19(3)14-24-16-36-23(7)30-24/h11,14,16,18,20-22,25-26,28,31,33H,8-10,12-13,15H2,1-7H3/b17-11-,19-14+/t18?,20-,21?,22+,25-,26-,28-/m0/s1

InChIKey

LUSOGNSOTZPASB-MHIRMNDESA-N

Chemical Structure

2D Structure

CAS: 252917-35-4

CID: 23242269

Formula: C29H45NO5S

MW: 519.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	519.7
XLogP3	6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	519.30184471
Monoisotopic Mass	519.30184471
Topological Polar Surface Area	125 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	797
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
E046-0.5MG	Epothilone A

Epothilone D1

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