 Home > Encyclopedia > [6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3,4-bis[(4-nitrobenzoyl)oxy]oxan-2-yl]methyl 4-nitrobenzoate

[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3,4-bis[(4-nitrobenzoyl)oxy]oxan-2-yl]methyl 4-nitrobenzoate

[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3,4-bis[(4-nitrobenzoyl)oxy]oxan-2-yl]methyl 4-nitrobenzoate structure

CAS No:
98103-10-7
Formula:
C48H37N3O21
Chemical Name:
[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3,4-bis[(4-nitrobenzoyl)oxy]oxan-2-yl]methyl 4-nitrobenzoate
Synonyms:
3',6'-dihydroxy-3',5'-diepidaunorubicin;3,6-DDED;NSC305991;3,6-Dded;NSC305990;NSC-305990;NSC-305991;3',6'-Dihydroxy-3',5'-diepidaunorubicin;5,12-Naphthacenedione, 8-acetyl-10-((2-deoxy-3,4,6-tris-O-(4-nitrobenzoyl)-alpha-D-arabino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-;8-Acetyl-10-((2-deoxy-3,4,6-tris-O-(4-nitrobenzoyl)-alpha-D-arabino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione (8S-cis)-;98103-10-7

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[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3,4-bis[(4-nitrobenzoyl)oxy]oxan-2-yl]methyl 4-nitrobenzoate Basic Attributes

Molecular Weight：

991.8 g/mol

Exact Mass：

991.19195520 g/mol

NSC Number：

305991|305990

Characteristics

PSA：

356 Å²

Drug Information

MeSH Entry Terms：

3',6'-dihydroxy-3',5'-diepidaunorubicin

Computed Properties

Molecular Weight:991.8
XLogP3:7.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:21
Rotatable Bond Count:14
Exact Mass:991.19195520
Monoisotopic Mass:991.19195520
Topological Polar Surface Area:356
Heavy Atom Count:72
Complexity:2080
Undefined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3,4-bis[(4-nitrobenzoyl)oxy]oxan-2-yl]methyl 4-nitrobenzoate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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