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aphidicolinglycinate

aphidicolinglycinate structure

aphidicolinglycinate 

structure
  • CAS No:

    92803-82-2

  • Formula:

    C22H37NO5.ClH

  • Chemical Name:

    aphidicolinglycinate

  • Synonyms:

    aphidicolin glycinate;aphidicolin-17-glycinate;AphiG;NSC 303812;[(3r,4r,4ar,6as,8r,9r,11as,11bs)-3,9-dihydroxy-4-(hydroxymethyl)-4,11b-dimethyltetradecahydro-8,11a-methanocyclohepta[a]naphthalen-9-yl]methyl glycinate hydrochloride(1:1);CTK8E0578;Glycine, (tetradecahydro-3,9-dihydroxy-4-(hydroxymethyl)-4,11b-dimethyl-8,11a-methano-11aH-cyclohepta(a)naphthalen-9-yl)methyl ester, hydrochloride, (3R-(3alpha,4alpha,4aalpha,6abeta,8beta,9beta,11abeta,11bbeta))-

aphidicolinglycinate Basic Attributes

431.997

431.243851

Characteristics

113

H20 100 (mg/mL)

(c = 1, MeOH) [a]20D = +4.5 ± 0.5°

Safety Information

Bulk: Compound is stable at 25 ± 2 °C under normal illumination or in the dark and at 45 °C for at least 4 weeks (HPLC). Solution: An 8 mg/mL solution in water at room temperature (25 ± 2 °C) decomposes at an apparent linear rate of 0.20 ± 0.05% per hour over a 24 hour period.

Drug Information

aphidicolin glycinate

Computed Properties

Molecular Weight:432.0
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:431.2438510
Monoisotopic Mass:431.2438510
Topological Polar Surface Area:113
Heavy Atom Count:29
Complexity:642
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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