 Home > Encyclopedia > 7-chloro-4-(dimethylamino)-1,4a,10,11,12a-pentahydroxy-6-[4-(hydroxyamino)-5-methoxy-4,6-dimethyloxan-2-yl]oxy-8-methoxy-6-methyl-3,12-dioxo-5,5a-dihydro-4H-tetracene-2-carboxamide

7-chloro-4-(dimethylamino)-1,4a,10,11,12a-pentahydroxy-6-[4-(hydroxyamino)-5-methoxy-4,6-dimethyloxan-2-yl]oxy-8-methoxy-6-methyl-3,12-dioxo-5,5a-dihydro-4H-tetracene-2-carboxamide

7-chloro-4-(dimethylamino)-1,4a,10,11,12a-pentahydroxy-6-[4-(hydroxyamino)-5-methoxy-4,6-dimethyloxan-2-yl]oxy-8-methoxy-6-methyl-3,12-dioxo-5,5a-dihydro-4H-tetracene-2-carboxamide structure

CAS No:
125622-12-0
Formula:
C31H40ClN3O13
Chemical Name:
7-chloro-4-(dimethylamino)-1,4a,10,11,12a-pentahydroxy-6-[4-(hydroxyamino)-5-methoxy-4,6-dimethyloxan-2-yl]oxy-8-methoxy-6-methyl-3,12-dioxo-5,5a-dihydro-4H-tetracene-2-carboxamide
Synonyms:
Dactylocycline A; (2Z)-2-[amino(hydroxy)methylidene]-7-chloro-4-(dimethylamino)-4a,10,11,12a-tetrahydroxy-6-[4-(hydroxyamino)-5-methoxy-4,6-dimethyloxan-2-yl]oxy-8-methoxy-6-methyl-5,5a-dihydro-4H-tetracene-1,3,12-trione;

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7-chloro-4-(dimethylamino)-1,4a,10,11,12a-pentahydroxy-6-[4-(hydroxyamino)-5-methoxy-4,6-dimethyloxan-2-yl]oxy-8-methoxy-6-methyl-3,12-dioxo-5,5a-dihydro-4H-tetracene-2-carboxamide Basic Attributes

Molecular Weight：

698.11500

Exact Mass：

697.2249660

Characteristics

PSA：

251.79000

XLogP3：

1.85820

Density：

1.59g/cm3

Boiling Point：

845.3ºC at 760mmHg

Flash Point：

465ºC

Refractive Index：

1.683

Vapor Pressure：

2.31E-30mmHg at 25°C

Drug Information

MeSH Entry Terms：

dactylocycline A

Computed Properties

Molecular Weight:698.1
XLogP3:0.2
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:7
Exact Mass:697.2249660
Monoisotopic Mass:697.2249660
Topological Polar Surface Area:251
Heavy Atom Count:48
Complexity:1440
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: sulfuryl fluoride; ethyl propionate; copper sulfide compound; aluminum acetate; phosphorus pentoxide; magnesium phosphate

Guide of 7-chloro-4-(dimethylamino)-1,4a,10,11,12a-pentahydroxy-6-[4-(hydroxyamino)-5-methoxy-4,6-dimethyloxan-2-yl]oxy-8-methoxy-6-methyl-3,12-dioxo-5,5a-dihydro-4H-tetracene-2-carboxamide

Basic Attributes
Characteristics
Drug Information
Computed Properties

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