Himalomycin B

CAT: 0931-TN10859-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-TN10859-02Size:50 mg

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

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CAS Number

701915-11-9

Target

Antibiotic, Antibacterial

Related Pathways

Microbiology/Virology

Bioactivity

Himalomycin B is an anthraquinone antibiotic exhibiting potent activity against Staphylococcus aureus, Escherichia coli, and Streptomyces viridochromogenes.

Smiles

O=C1C=2C(C(=O)C=3C1=CC=C(CC(O[C@@H]4O[C@@H](C)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)CC5)CC4)(CC(O)=O)C)C3O)=CC=C(C2O)[C@H]6C[C@@H](O)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)CC7)[C@@H](C)O6

Molecular Formula

C43H56O16

Molecular Weight

828.9

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Himalomycin B

Himalomycin B is an anthraquinone.

CAS Number	701915-11-9
PubChem CID	11765992
IUPAC Name	4-[1,5-dihydroxy-6-[(2R,4R,5S,6R)-4-hydroxy-5-[(2S,5R,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-9,10-dioxoanthracen-2-yl]-3-[(2S,5S,6S)-5-[(2S,5R,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3-methylbutanoic acid
Molecular Formula	C43H56O16
Molecular Weight	828.9
XLogP	4.2
Topological Polar Surface Area	237
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	11
Heavy Atom Count	59
Formal Charge	0
Complexity	1480

SMILES

C[C@H]1[C@@H](CC[C@@H](O1)O[C@H]2CC[C@@H](O[C@H]2C)OC(C)(CC3=C(C4=C(C=C3)C(=O)C5=C(C4=O)C=CC(=C5O)[C@H]6C[C@H]([C@@H]([C@H](O6)C)O[C@H]7CC[C@H]([C@@H](O7)C)O)O)O)CC(=O)O)O

InChI

InChI=1S/C43H56O16/c1-19-27(44)10-13-33(54-19)57-30-12-15-35(56-21(30)3)59-43(5,18-32(47)48)17-23-6-7-25-36(38(23)49)40(51)26-9-8-24(39(50)37(26)41(25)52)31-16-29(46)42(22(4)53-31)58-34-14-11-28(45)20(2)55-34/h6-9,19-22,27-31,33-35,42,44-46,49-50H,10-18H2,1-5H3,(H,47,48)/t19-,20-,21-,22+,27+,28+,29+,30-,31+,33-,34-,35-,42+,43?/m0/s1

InChIKey

KKNQZECZFJSPQR-YYTUHZOXSA-N

Chemical Structure

2D Structure

CAS: 701915-11-9

CID: 11765992

Formula: C43H56O16

MW: 828.9

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	828.9
XLogP3	4.2
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	11
Exact Mass	828.35683569
Monoisotopic Mass	828.35683569
Topological Polar Surface Area	237 Å²
Heavy Atom Count	59
Formal Charge	0
Complexity	1480
Isotope Atom Count	0
Defined Atom Stereocenter Count	13
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
HY-N14711	Himalomycin A
GTR19255506-01	Himalomycin B

Himalomycin B

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