Blasticidin S

Molecule SVG Image

Properties Simple | Detailed

Formula C17H27N8O5
IUPAC Name [[[(3s)-3-amino-5-[[(2s,3s,6r)-6-(4-amino-2-oxo-pyrimidin-3-ium-1-yl)-2-carboxy-3,6-dihydro-2h-pyran-3-yl]amino]-5-oxo-pentyl]-methyl-amino]-azaniumylidene-methyl]azanide
Molecular Mass 423.447 g·mol−1
Heat of Formation -631.0 ± 16.7 kJ·mol−1
Dipole Moment 5.68 ± 1.08 D
Volume 492.0 Å 3
Surface Area 432.7 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -0.33 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,6r)-3-[[(3s)-3-amino-5-(carbamimidoyl-methyl-amino)pentanoyl]amino]-6-(4-amino-2-oxo-pyrimidin-1-yl)-3,6-dihydro-2h-pyran-2-carboxylic acid
  • (2s,3s,6r)-3-[[(3s)-3-amino-5-(carbamimidoyl-methylamino)-1-oxopentyl]amino]-6-(4-amino-2-oxo-1-pyrimidinyl)-3,6-dihydro-2h-pyran-2-carboxylic acid
  • (2s,3s,6r)-3-[[(3s)-3-amino-5-(carbamimidoyl-methylamino)pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2h-pyran-2-carboxylic acid
  • (2s,3s,6r)-3-[[(3s)-5-(amidino-methyl-amino)-3-amino-pentanoyl]amino]-6-(4-amino-2-keto-pyrimidin-1-yl)-3,6-dihydro-2h-pyran-2-carboxylic acid
  • 2(1h)-pyrimidinone, 4-amino-1-[4-[[(3s)-3-amino-5-[(aminoiminomethyl)methylamino]-1-oxopentyl]amino]-2,3,4-trideoxy-beta-d-erythro-hex-2-enopyranuronosyl]-
  • bls
InChIKey CXNPLSGKWMLZPZ-ZNIXKSQXSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N