(7R,12S,16R,24R,28R)-2,4,12,19,21-Pentahydroxy-7,16,24,28-Tetramethyl-12,13,28,29-Tetrahydro-5H,7H,16H,24H-Dibenzo[M,W][1,5,10,16,20]Pentaoxacyclopentacosine-5,9,14,22,26(8H,11H,17H,25H)-Pentone

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Properties Simple | Detailed

Formula C21H19O15
IUPAC Name formaldehyde; hydroperoxymethanolate; (2e)-2-(oxiran-2-ylidene)-3,4-bis(oxomethylene)cyclobutanone; 2-(2-oxocyclopropyl)propa-1,2-diene-1,3-dione; prop-1-yne-1,3-diol
Molecular Mass 511.367 g·mol−1
Heat of Formation -2815.5 ± 16.7 kJ·mol−1
Dipole Moment 2.12 ± 1.08 D
Volume 768.43 Å 3
Surface Area 578.74 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
Synonyms
  • (7r-(7r*,11r*,15r*,23r*,27*))-7,8,11,12,15,16,23,24,27,28-decahydro-2,4,18,20-tetrahydroxy-11-(hydroxymethyl)-7,15,23,27-tetramethyl-5h,9h,13h,21h,25h-dibenzo(k,u)(1,5,9,15,19)pentaoxacyclotetracosin-5,9,13,21,25-pentone
  • 5h,9h,13h,21h,25h-dibenzo(k,u)(1,5,9,15,19)pentaoxacyclotetracosin-5,9,13,21,25-pentone, 7,8,11,12,15,16,23,24,27,28-decahydro-2,4,18,20-tetrahydroxy-11-(hydroxymethyl)-7,15,23,27-tetramethyl-, (7r-(7r*,11r*,15r*,23r*,27*))-
  • bk223-a
  • bk223-b
  • ng 011
  • ng 012
  • ng-011
CAS Number(s)
  • 141731-75-1
InChIKey UQFKAQNXJTZJAU-RZOYPLJHSA-N
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