Bleomycin B4

CAT: 1299-RM-B120515-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-B120515-01Size:10 mg

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CAS Number

9060-11-1

Synonyms

(2R,3S,4S,5R,6R) -2- (((2R,3S,4S,5S,6S) -2- ((1R,2S) -2- (6-amino-2- ((S) -3-amino-1- (((S) -2,3-diamino-3-oxopropyl) amino) -3-oxopropyl) -5-methylpyrimidine-4-carboxamido) -3- (((2R,3S,4S) -5- (((2S,3R) -1- ((2- (4- ((4- (3- (4-guanidinobutyl) guanidino) butyl) carbamoyl) -[2,4'-bithiazol]-2'-yl) ethyl) amino) -3-hydroxy-1-oxobutan-2-yl) amino) -3-hydroxy-4-methyl-5-oxopentan-2-yl) amino) -1- (1H-imidazol-4-yl) -3-oxopropoxy) -4,5-dihydroxy-6- (hydroxymethyl) tetrahydro-2H-pyran-3-yl) oxy) -3,5-dihydroxy-6- (hydroxymethyl) tetrahydro-2H-pyran-4-yl carbamate

Molecular Formula

C60H95N23O21S2

Molecular Weight

1538.68

Target Alternative Name

Bleomycin

Product Name Synonym

Chemical Information

Bleomycin B4

CAS Number	9060-11-1
PubChem CID	84043
IUPAC Name	[2-[2-[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[5-[[1-[2-[4-[4-[4-[carbamimidoyl-[4-(diaminomethylideneamino)butyl]amino]butylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate
Molecular Formula	C60H95N23O21S2
Molecular Weight	1538.7
XLogP	-9.6
Topological Polar Surface Area	801
Hydrogen Bond Donor Count	24
Hydrogen Bond Acceptor Count	33
Rotatable Bond Count	43
Heavy Atom Count	106
Formal Charge	0
Complexity	2920

SMILES

CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCCCN(CCCCN=C(N)N)C(=N)N)O

InChI

InChI=1S/C60H95N23O21S2/c1-23-36(79-49(82-47(23)63)28(15-34(62)87)74-16-27(61)48(64)93)53(97)81-38(44(29-17-70-22-75-29)102-57-46(42(91)40(89)32(18-84)101-57)103-56-43(92)45(104-60(69)99)41(90)33(19-85)100-56)54(98)76-25(3)39(88)24(2)50(94)80-37(26(4)86)52(96)72-12-9-35-77-31(21-105-35)55-78-30(20-106-55)51(95)71-10-5-7-13-83(59(67)68)14-8-6-11-73-58(65)66/h17,20-22,24-28,32-33,37-46,56-57,74,84-86,88-92H,5-16,18-19,61H2,1-4H3,(H2,62,87)(H2,64,93)(H3,67,68)(H2,69,99)(H,70,75)(H,71,95)(H,72,96)(H,76,98)(H,80,94)(H,81,97)(H2,63,79,82)(H4,65,66,73)

InChIKey

XRKOAIXTCFOKJS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 9060-11-1

CID: 84043

Formula: C60H95N23O21S2

MW: 1538.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1538.7
XLogP3	-9.6
Hydrogen Bond Donor Count	24
Hydrogen Bond Acceptor Count	33
Rotatable Bond Count	43
Exact Mass	1537.65142948
Monoisotopic Mass	1537.65142948
Topological Polar Surface Area	801 Å²
Heavy Atom Count	106
Formal Charge	0
Complexity	2920
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	19
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
RM-B120511-01	Bleomycin Sulfate
RM-B120512-01	Bleomycin Acid
RM-B120510-01	Bleomycin A6
RM-B120513-01	Bleomycin A5

Alternative Products

Catalog	Name
B053-50MG	Bleomycin
AB15942-01	Bleomycin sulfate - mixture of Bleomycin A2, B2
M25042A-01	Bleomycin hydrochloride
HY-W749297	Bleomycin B2
HY-17565-01	Bleomycin (sulfate)
HY-146646	Bleomycin A2
T73606-01	Bleomycin B4
443036	Bleomycin Acid
JH561962	Bleomycin sulfate
A14378-100	Bleomycin 100mg

Bleomycin B4

Chemical Information

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