 Home > Encyclopedia > (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-(benzylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-(benzylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-(benzylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione structure

CAS No:
70878-49-8
Formula:
C34H35NO10
Chemical Name:
(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-(benzylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Synonyms:
N-Benzyldaunomycin;70878-49-8;CCRIS 5084;BRN 1417315;N-Benzyldaunorubicin;5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-1-methoxy-10-((2,3,6-trideoxy-3-((phenylmethyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-6,8,11-trihydroxy-, (8S-cis)-;CHEMBL3302180;DTXSID10991152;(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-(benzylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-(benzylamino)-2,3,6-trideoxyhexopyranoside

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(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-(benzylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione Basic Attributes

Molecular Weight：

617.6 g/mol

Exact Mass：

617.22609631 g/mol

Characteristics

PSA：

172 Å²

Computed Properties

Molecular Weight:617.6
XLogP3:3.8
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:7
Exact Mass:617.22609631
Monoisotopic Mass:617.22609631
Topological Polar Surface Area:172
Heavy Atom Count:45
Complexity:1110
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-(benzylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

Basic Attributes
Characteristics
Computed Properties

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