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Home > Encyclopedia > (2S,3S,5S)-2-methyl-5-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxolane-3-carbaldehyde

(2S,3S,5S)-2-methyl-5-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxolane-3-carbaldehyde

(2S,3S,5S)-2-methyl-5-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxolane-3-carbaldehyde structure

(2S,3S,5S)-2-methyl-5-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxolane-3-carbaldehyde 

structure
  • CAS No:

    100349-06-2

  • Formula:

    C27H26O11

  • Chemical Name:

    (2S,3S,5S)-2-methyl-5-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxolane-3-carbaldehyde

(2S,3S,5S)-2-methyl-5-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxolane-3-carbaldehyde Basic Attributes

526.48900

526.14751164 g/mol

DTXSID40143228

Characteristics

176.89000

1.12820

1.58g/cm3

773.1ºC

260.6ºC

1.688

3.76E-25mmHg at 25°C

Drug Information

7-O-(2,3,5-trideoxy-3-C-formyl-alpha-L-threo-pentafuranosyl)doxomycinone

Computed Properties

Molecular Weight:526.5
XLogP3:2.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:6
Exact Mass:526.14751164
Monoisotopic Mass:526.14751164
Topological Polar Surface Area:177
Heavy Atom Count:38
Complexity:969
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of (2S,3S,5S)-2-methyl-5-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxolane-3-carbaldehyde

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