-
Name
N-[4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid 1,5-diethyl ester
- EINECS
- CAS No. 146943-43-3
- Article Data15
- CAS DataBase
- Density 1.38
- Solubility
- Melting Point 84-86 °C
- Formula C24H29 N5 O6
- Boiling Point
- Molecular Weight 483.524
- Flash Point
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms L-Glutamicacid, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-,diethyl ester (9CI); 1H-Pyrrolo[2,3-d]pyrimidine, L-glutamic acid deriv.
- PSA 169.26000
- LogP 2.59550
(S)-Diethyl 2-(4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioate Chemical Properties
Molecular Structure of (S)-Diethyl 2-(4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioate (CAS NO.146943-43-3):
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Molecular Formula: C24H29N5O6
Molecular Weight: 483.52
Systematic Name: Diethyl N-({4-[2-(2-amino-4-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl}carbonyl)glutamate
SMILES: CCOC(=O)C(CCC(=O)OCC)NC(=O)c1ccc(cc1)CCc3cnc2nc(N)nc(O)c23
InChI: InChI=1/C24H29N5O6/c1-3-34-18(30)12-11-17(23(33)35-4-2)27-21(31)15-8-5-14(6-9-15)7-10-16-13-26-20-19(16)22(32)29-24(25)28-20/h5-6,8-9,13,17H,3-4,7,10-12H2,1-2H3,(H,27,31)(H4,25,26,28,29,32)
InChIKey: DEJAOZLLEHXUBF-UHFFFAOYAQ
Synonyms of (S)-Diethyl 2-(4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioate (CAS NO.146943-43-3): N-[4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid 1,5-diethyl ester
CAS NO: 146943-43-3
Melting point: 84-86 °C
Index of Refraction: 1.63
Molar Refractivity: 129.05 cm3
Molar Volume: 362.2 cm3
Surface Tension: 64.5 dyne/cm
Density: 1.334 g/cm3
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