Neocarzinostatin

CAT: 0607-BA1066-.1Size: 100 µgDry Ice: NoHazardous: No

1 / 1

CAT#:0607-BA1066-.1Size:100 µg

Selected

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

Quick Request Actions

CAS Number

9014-02-2

Form

A liquid

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Neocarzinostatin

Neocarzinostatin has been reported in Streptomyces carzinostaticus, Streptomyces anthocyanicus, and Streptomyces lividans with data available.

CAS Number	9014-02-2
PubChem CID	57125363
IUPAC Name	[(4S,11R,12R)-11-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-methyl-3-(methylamino)oxan-2-yl]oxy-4-(2-oxo-1,3-dioxolan-4-yl)-5-oxatricyclo[8.3.0.04,6]tridec-1(13)-en-2,7-diyn-12-yl] 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylate
Molecular Formula	C35H35NO12
Molecular Weight	661.6
XLogP	2.3
Topological Polar Surface Area	175
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	8
Heavy Atom Count	48
Formal Charge	0
Complexity	1460

SMILES

C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H](C=C3C2CC#CC4[C@@](O4)(C#C3)C5COC(=O)O5)OC(=O)C6=C(C=CC7=C6C=C(C=C7C)OC)O)NC)O)O

InChI

InChI=1S/C35H35NO12/c1-16-12-19(42-4)14-22-20(16)8-9-23(37)27(22)32(40)45-24-13-18-10-11-35(26-15-43-34(41)46-26)25(48-35)7-5-6-21(18)31(24)47-33-28(36-3)30(39)29(38)17(2)44-33/h8-9,12-14,17,21,24-26,28-31,33,36-39H,6,15H2,1-4H3/t17-,21?,24-,25?,26?,28-,29+,30-,31-,33-,35+/m1/s1

InChIKey

BLXZMHNVKCEIJX-LTZUVELHSA-N

Chemical Structure

2D Structure

CAS: 9014-02-2

CID: 57125363

Formula: C35H35NO12

MW: 661.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	661.6
XLogP3	2.3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	8
Exact Mass	661.21592555
Monoisotopic Mass	661.21592555
Topological Polar Surface Area	175 Å²
Heavy Atom Count	48
Formal Charge	0
Complexity	1460
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
T16283-01	Neocarzinostatin
MBS1174703-01	Recombinant Streptomyces carzinostaticus Neocarzinostatin (ncsA)
MBS1242144-01	Recombinant Streptomyces malayensis Neocarzinostatin (ncsA)

Neocarzinostatin

Chemical Information

Alternative Products

Popular Products