chempirical

Remdesivir

C27H35N6O8PCAS 1809249-37-3602.58 g/mol

Open in Covalent MOL file
OOHNPOOONNH2NNNOHHOO
AlcoholEsterEtherNitrilePrimary amine

Properties

Molecular formula
C27H35N6O8P
Molar mass
602.58 g/mol
Exact mass
602.2254 Da
logP
2.31Crippen estimate
Polar surface area
203.6 Ų
H-bond donors / acceptors
4 / 12
Rotatable bonds
13
Stereocentres
S, S, R, R, R, Sin SMILES atom order

Identifiers

CAS number
1809249-37-3
SMILES
CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O)Oc1ccccc1
InChIKey
RWWYLEGWBNMMLJ-YSOARWBDSA-N
InChI
InChI=1S/C27H35N6O8P/c1-4-18(5-2)13-38-26(36)17(3)32-42(37,41-19-9-7-6-8-10-19)39-14-21-23(34)24(35)27(15-28,40-21)22-12-11-20-25(29)30-16-31-33(20)22/h6-12,16-18,21,23-24,34-35H,4-5,13-14H2,1-3H3,(H,32,37)(H2,29,30,31)/t17-,21+,23+,24+,27-,42-/m0/s1

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

Names and synonyms

8 names
  • L-Alanine, N-[(S)-hydroxyphenoxyphosphinyl]-, 2-ethylbutyl ester, 6-ester with 2-C-(4-aminopyrrolo[2,1-F][1,2,4]triazin-7-yl)-2,5-anhydro-D-altrononitrile
  • GS 5734
  • 2-Ethylbutyl N-[(S)-[2-C-(4-aminopyrrolo(2,1-f)(1,2,4)triazin-7-yl)-2,5-anhydro-D-altrononitril-6-O-yl]phenoxyphosphoryl]-L-alaninate
  • 2-Ethylbutyl (2S)-2-[[[[(2R,3S,4R,5R)-5-(4-aminopyrrolo(2,1-f)(1,2,4)triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydrofuran-2-yl]methoxy]phenoxyphosphoryl]amino]propanoate
  • L-Alanine, N-[(S)-hydroxyphenoxyphosphinyl)-, 2-ethylbutyl ester,6-ester with 2-C-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,5-anhydro-D-altrononitrile
  • 2-Ethylbutyl (2S)-2-[[(S)-[[(2R,3S,4R,5R)-5-(4-aminopyrrolo(2,1-f)(1,2,4)triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydrofuran-2-yl]methoxy]phenoxyphosphoryl]amino]propanoate
  • GS-5734
  • Veklury

Work with Remdesivir

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

Gs-4415241191237-69-051 % similar Remdesivir N-21191237-80-539 % similar Sofosbuvir1190307-88-038 % similar Psi-79761190308-01-037 % similar Tenofovir alafenamide379270-37-832 % similar N-[(S)-(2,3,4,5,6-Pentafluorophenoxy)phenoxyphosphinyl]-L-alanine 1-methylethyl ester1334513-02-830 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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