Rudolfomycin

CAT: 0931-T68859-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-T68859-03Size:100 mg

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CAS Number

69245-38-1

Target

Others

Related Pathways

Others

Bioactivity

Rudolfomycin is a class II anthracycline antitumor antibiotic that inhibit the synthesis of nucleolar RNA in intact tumor cells.

Smiles

C(OC)(=O)C1C2=C(C(OC3CC(N(C)C)C(OC4CC(O)C(OC5C(N)=CC(=O)C(C)O5)C(C)O4)C(C)O3)CC1(CC)O)C(O)=C6C(=C2)C(=O)C=7C(C6=O)=C(O)C=CC7O

Molecular Formula

C42H52N2O16

Molecular Weight

840.87

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Rudolfomycin

rudolfomycin has been reported in Streptomyces with data available.

CAS Number	69245-38-1
PubChem CID	101324865
IUPAC Name	methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-[[(2R,6S)-3-amino-6-methyl-5-oxo-2H-pyran-2-yl]oxy]-4-hydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Molecular Formula	C42H52N2O16
Molecular Weight	840.9
XLogP	3
Topological Polar Surface Area	263
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	18
Rotatable Bond Count	10
Heavy Atom Count	60
Formal Charge	0
Complexity	1660

SMILES

CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)O[C@H]7C(=CC(=O)[C@@H](O7)C)N)O)N(C)C)O

InChI

InChI=1S/C42H52N2O16/c1-8-42(53)15-27(30-19(34(42)40(52)54-7)11-20-31(36(30)50)37(51)33-24(46)10-9-23(45)32(33)35(20)49)58-28-13-22(44(5)6)38(17(3)55-28)59-29-14-26(48)39(18(4)56-29)60-41-21(43)12-25(47)16(2)57-41/h9-12,16-18,22,26-29,34,38-39,41,45-46,48,50,53H,8,13-15,43H2,1-7H3/t16-,17-,18-,22-,26-,27-,28-,29-,34-,38+,39+,41-,42+/m0/s1

InChIKey

GFEWKUPUJDGEKH-WUZCFZOISA-N

Chemical Structure

2D Structure

CAS: 69245-38-1

CID: 101324865

Formula: C42H52N2O16

MW: 840.9

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	840.9
XLogP3	3
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	18
Rotatable Bond Count	10
Exact Mass	840.33168358
Monoisotopic Mass	840.33168358
Topological Polar Surface Area	263 Å²
Heavy Atom Count	60
Formal Charge	0
Complexity	1660
Isotope Atom Count	0
Defined Atom Stereocenter Count	13
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
GTR19211085-01	Rudolfomycin

Rudolfomycin

Chemical Information

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