Novobiocin sodium

C31H35N2NaO11CAS 1476-53-5634.61 g/mol

Open in Covalent MOL file
OOH2NOOHOO−NHOOHOOONa+
AcetalAlcoholAlkeneAmideCarbamateEtherPhenol

Properties

Molecular formula
C31H35N2NaO11
Molar mass
634.61 g/mol
Exact mass
634.2139 Da
logP
0.00Crippen estimate
Polar surface area
202.8 Ų
H-bond donors / acceptors
4 / 11
Rotatable bonds
8
Stereocentres
R, S, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

Identifiers

CAS number
1476-53-5
SMILES
CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C.[Na+]
InChIKey
WWPRGAYLRGSOSU-RNROJPEYSA-M
InChI
InChI=1S/C31H36N2O11.Na/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29;/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37);/q;+1/p-1/t23-,25+,26-,29-;/m1./s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

16 names · show all
  • Benzamide, N-[7-[[3-O-(aminocarbonyl)-6-deoxy-5-C-methyl-4-O-methyl-α-L-lyxo-hexopyranosyl]oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl]-4-hydroxy-3-(3-methyl-2-buten-1-yl)-, sodium salt (1:1)
  • Novobiocin, monosodium salt
  • Novobiocin, sodium deriv.
  • Benzamide, N-[7-[[3-O-(aminocarbonyl)-6-deoxy-5-C-methyl-4-O-methyl-α-L-lyxo-hexopyranosyl]oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl]-4-hydroxy-3-(3-methyl-2-butenyl)-, monosodium salt
  • Albamycin sodium
  • Cathomycin sodium
  • Cathomycin sodium lyovac
  • Monosodium novobiocin
  • Novobiocin monosodium
  • Sodium albamycin
  • Sodium novobiocin
  • Novobiocin sodium salt
  • Albamycin (capsule)
  • Albamycin
  • Vulcamycin
  • NSC 2382

Work with Novobiocin sodium

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Psoralidin18642-23-434 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook