Hitachimycin

CAT: 0013-GTR19255966-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19255966-01Size:10 mg

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Description

Hitachimycin is a macrolide antibiotic with properties that inhibit the growth of tumor cells and exhibit antiprotozoal activity.

CAS Number

77642-19-4

Field of Research

Infectious Disease & Virology

Smiles

C/C/1=C/[C@H]2C[C@@H] (C (=C2C (=O) C[C@H] (CC/C=C/C[C@H] (NC (=O) /C=C\C=C1) C3=CC=CC=C3) O) O) OC

Molecular Formula

C29H35NO5

Molecular Weight

477.592

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Hitachimycin

Hitachimycin has been reported in Streptomyces with data available.

CAS Number	77642-19-4
PubChem CID	6474069
IUPAC Name	(1R,2Z,4E,6E,10S,12E,16S,21S)-16,20-dihydroxy-21-methoxy-3-methyl-10-phenyl-9-azabicyclo[17.3.0]docosa-2,4,6,12,19-pentaene-8,18-dione
Molecular Formula	C29H35NO5
Molecular Weight	477.6
XLogP	4
Topological Polar Surface Area	95.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	35
Formal Charge	0
Complexity	891

SMILES

C/C/1=C/[C@H]2C[C@@H](C(=C2C(=O)C[C@H](CC/C=C/C[C@H](NC(=O)/C=C\C=C1)C3=CC=CC=C3)O)O)OC

InChI

InChI=1S/C29H35NO5/c1-20-11-9-10-16-27(33)30-24(21-12-5-3-6-13-21)15-8-4-7-14-23(31)19-25(32)28-22(17-20)18-26(35-2)29(28)34/h3-6,8-13,16-17,22-24,26,31,34H,7,14-15,18-19H2,1-2H3,(H,30,33)/b8-4+,11-9+,16-10+,20-17-/t22-,23-,24-,26-/m0/s1

InChIKey

PLQKHNPZPRTISL-QSQNXQFYSA-N

Chemical Structure

2D Structure

CAS: 77642-19-4

CID: 6474069

Formula: C29H35NO5

MW: 477.6

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	477.6
XLogP3	4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	477.25152322
Monoisotopic Mass	477.25152322
Topological Polar Surface Area	95.9 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	891
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	4
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
HY-N15041	Hitachimycin

Hitachimycin

Chemical Information

Alternative Products

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