Adenosine, 5'-O-[[[[(3S)-4-[[3-[[2-[(2-carboxy-1-oxoethyl-2-¹³C)thio]ethyl]amino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-, 3'-(dihydrogen phos phate), ion(4-)

Molecular FormulaC₂₃¹³CH₃₄N₇O₁₉P₃S
Average mass850.543 Da
Monoisotopic mass850.089844 Da
ChemSpider ID17344532

- Charge
- 5 of 5 defined stereocentres
- Non-standard isotope

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Adenosine, 5'-O-[[[[(3S)-4-[[3-[[2-[(2-carboxy-1-oxoethyl-2-¹³C)thio]ethyl]amino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-, 3'-(dihydrogen phos phate), ion(4-) [ACD/Index Name]

[2-13C]Malonyl-coenzyme A

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

nchembio.2007.22-comp4 [DBID]

Predicted - ACD/Labs
Predicted - ChemAxon

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

No predicted properties have been calculated for this compound.

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ACD/LogP:
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ACD/LogD (pH 7.4):
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Adenosine, 5'-O-[[[[(3S)-4-[[3-[[2-[(2-carboxy-1-oxoethyl-2-13C)thio]ethyl]amino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-, 3'-(dihydrogen phos phate), ion(4-)

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Adenosine, 5'-O-[[[[(3S)-4-[[3-[[2-[(2-carboxy-1-oxoethyl-2-¹³C)thio]ethyl]amino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-, 3'-(dihydrogen phos phate), ion(4-)