Metabolites-BOC Sciences

5-Hydroxymethyltubercidin

5-Hydroxymethyltubercidin - CAS 49558-38-5

Catalog number: BBF-01013

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Catalog Number BBF-01013
CAS 49558-38-5
Description 5-Hydroxymethyltubercidin is a semi-synthetic antibiotic made from tuberculin-5-carboxylic acid.
Molecular Formula C12H16N4O5
Molecular Weight 296.28
Synonyms 5-(hydroxymethyl)-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine
IUPAC Name 2-[4-amino-5-(hydroxymethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Canonical SMILES C1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)N)CO
InChI InChI=1S/C12H16N4O5/c13-10-7-5(2-17)1-16(11(7)15-4-14-10)12-9(20)8(19)6(3-18)21-12/h1,4,6,8-9,12,17-20H,2-3H2,(H2,13,14,15)
InChI Key HVMYWBSUWVFUFB-UHFFFAOYSA-N
Boiling Point 725.9°C at 760 mmHg
Melting Point 229-230°C
Density 1.93 g/cm3
Appearance Crystal
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