(2R,4R,6R)-4-ethyl-5-hydroxy-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one;(2S)-2-[(2R,3S,5R)-5-ethyl-4-hydroxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-N-methylpropanamide;(2R)-2-[(2R,3S,5R)-5-ethyl-4-hydroxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-N-methylpropanamide;2-hydroxy-N-methylpropanamide;molecular hydrogen

C45H73N9O18 — CID 162193619

IUPAC(2R,4R,6R)-4-ethyl-5-hydroxy-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one;(2S)-2-[(2R,3S,5R)-5-ethyl-4-hydroxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-N-methylpropanamide;(2R)-2-[(2R,3S,5R)-5-ethyl-4-hydroxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-N-methylpropanamide;2-hydroxy-N-methylpropanamide;molecular hydrogen
SMILESCC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@@H](O[C@@H](C)C(=O)NC)C1O.CC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@@H](O[C@H](C)C(=O)NC)C1O.CC[C@H]1O[C@@H]2[C@H](Oc3nc(=O)c(C)cn32)C1O.CNC(=O)C(C)O.[H][H].[H][H]
InChIInChI=1S/2C15H23N3O6.C11H14N2O4.C4H9NO2.2H2/c2*1-5-9-10(19)11(23-8(3)13(21)16-4)14(24-9)18-6-7(2)12(20)17-15(18)22;1-3-6-7(14)8-10(16-6)13-4-5(2)9(15)12-11(13)17-8;1-3(6)4(7)5-2;;/h2*6,8-11,14,19H,5H2,1-4H3,(H,16,21)(H,17,20,22);4,6-8,10,14H,3H2,1-2H3;3,6H,1-2H3,(H,5,7);2*1H/t8-,9+,10?,11-,14+;8-,9-,10?,11+,14-;6-,7?,8-,10-;;;/m011.../s1
InChIKeyZQQNQGZOFYOKTA-BDPWRXRFSA-N
MW1028.12 g/mol
LogP-2.35
Rot. Bonds12

About (2R,4R,6R)-4-ethyl-5-hydroxy-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one;(2S)-2-[(2R,3S,5R)-5-ethyl-4-hydroxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-N-methylpropanamide;(2R)-2-[(2R,3S,5R)-5-ethyl-4-hydroxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-N-methylpropanamide;2-hydroxy-N-methylpropanamide;molecular hydrogen

(2R,4R,6R)-4-ethyl-5-hydroxy-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one;(2S)-2-[(2R,3S,5R)-5-ethyl-4-hydroxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-N-methylpropanamide;(2R)-2-[(2R,3S,5R)-5-ethyl-4-hydroxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-N-methylpropanamide;2-hydroxy-N-methylpropanamide;molecular hydrogen (PubChem CID 162193619) has the molecular formula C45H73N9O18 and a molecular weight of 1028.12 g/mol. Its IUPAC name is (2R,4R,6R)-4-ethyl-5-hydroxy-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one;(2S)-2-[(2R,3S,5R)-5-ethyl-4-hydroxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-N-methylpropanamide;(2R)-2-[(2R,3S,5R)-5-ethyl-4-hydroxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-N-methylpropanamide;2-hydroxy-N-methylpropanamide;molecular hydrogen.

Molecular Properties

Compound Name(2R,4R,6R)-4-ethyl-5-hydroxy-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one;(2S)-2-[(2R,3S,5R)-5-ethyl-4-hydroxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-N-methylpropanamide;(2R)-2-[(2R,3S,5R)-5-ethyl-4-hydroxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-N-methylpropanamide;2-hydroxy-N-methylpropanamide;molecular hydrogen
PubChem CID162193619
Molecular FormulaC45H73N9O18
Molecular Weight1028.12 g/mol
Exact Mass1027.51
IUPAC Name(2R,4R,6R)-4-ethyl-5-hydroxy-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one;(2S)-2-[(2R,3S,5R)-5-ethyl-4-hydroxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-N-methylpropanamide;(2R)-2-[(2R,3S,5R)-5-ethyl-4-hydroxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-N-methylpropanamide;2-hydroxy-N-methylpropanamide;molecular hydrogen
SMILESCC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@@H](O[C@@H](C)C(=O)NC)C1O.CC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@@H](O[C@H](C)C(=O)NC)C1O.CC[C@H]1O[C@@H]2[C@H](Oc3nc(=O)c(C)cn32)C1O.CNC(=O)C(C)O.[H][H].[H][H]
InChIInChI=1S/2C15H23N3O6.C11H14N2O4.C4H9NO2.2H2/c2*1-5-9-10(19)11(23-8(3)13(21)16-4)14(24-9)18-6-7(2)12(20)17-15(18)22;1-3-6-7(14)8-10(16-6)13-4-5(2)9(15)12-11(13)17-8;1-3(6)4(7)5-2;;/h2*6,8-11,14,19H,5H2,1-4H3,(H,16,21)(H,17,20,22);4,6-8,10,14H,3H2,1-2H3;3,6H,1-2H3,(H,5,7);2*1H/t8-,9+,10?,11-,14+;8-,9-,10?,11+,14-;6-,7?,8-,10-;;;/m011.../s1
InChIKeyZQQNQGZOFYOKTA-BDPWRXRFSA-N
XLogP-2.35
TPSA368.21 Ų
H-Bond Donors9
H-Bond Acceptors22
Rotatable Bonds12
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001028.12
LogP ≤ 5-2.35
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1022

Analyze (2R,4R,6R)-4-ethyl-5-hydroxy-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one;(2S)-2-[(2R,3S,5R)-5-ethyl-4-hydroxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-N-methylpropanamide;(2R)-2-[(2R,3S,5R)-5-ethyl-4-hydroxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-N-methylpropanamide;2-hydroxy-N-methylpropanamide;molecular hydrogen with MolForge

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Related Compounds

1-[(2R,3S,5R)-3-[(2S)-butan-2-yl]oxy-5-ethyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3S,5R)-5-ethyl-4-hydroxy-3-[(2R)-1-methoxypropan-2-yl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;(2R,4R,6R)-4-ethyl-5-hydroxy-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one;1-methoxy-2-methylpropane
CID 159229820
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-[(2R,3S)-3-methoxybutan-2-yl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 67961716
2-[2-(5-tert-butyl-2,4-dioxopyrimidin-1-yl)-5-ethyl-4-hydroxyoxolan-3-yl]oxy-N,2-dimethylpropanamide
CID 91529616
1-[(2R,5R)-3-(2-aminoethoxy)-5-ethyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;2-cyanoethyl N-[2-[(2R,5R)-5-ethyl-4-hydroxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyethyl]carbamate
CID 162119687
1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-3-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 159995307
1-[(2R,3R,4R,5R)-3-[2-(dimethylamino)propoxy]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 20679384
5-ethyl-1-[5-ethyl-4-hydroxy-3-(1-methoxypropan-2-yloxy)oxolan-2-yl]pyrimidine-2,4-dione
CID 91296344
1-[(2R,3R,4R,5R)-5-[(1S)-1-deuterioethyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 88880674
1-[5-(aminomethyl)-4-hydroxy-3-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 155887099
1-[(2R,3R,4R,5S)-4-hydroxy-5-(hydroxymethyl)-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 98008852
1-[(2R,3R,4S)-3,4-dihydroxy-5-(2-methylbutyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 89495285
1-[(2R,3R,4R,5R)-3-(2-ethoxyethoxy)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 69253780

Frequently Asked Questions

What is the IUPAC name of (2R,4R,6R)-4-ethyl-5-hydroxy-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one;(2S)-2-[(2R,3S,5R)-5-ethyl-4-hydroxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-N-methylpropanamide;(2R)-2-[(2R,3S,5R)-5-ethyl-4-hydroxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-N-methylpropanamide;2-hydroxy-N-methylpropanamide;molecular hydrogen?
The IUPAC name of (2R,4R,6R)-4-ethyl-5-hydroxy-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one;(2S)-2-[(2R,3S,5R)-5-ethyl-4-hydroxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-N-methylpropanamide;(2R)-2-[(2R,3S,5R)-5-ethyl-4-hydroxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-N-methylpropanamide;2-hydroxy-N-methylpropanamide;molecular hydrogen (CID 162193619) is (2R,4R,6R)-4-ethyl-5-hydroxy-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one;(2S)-2-[(2R,3S,5R)-5-ethyl-4-hydroxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-N-methylpropanamide;(2R)-2-[(2R,3S,5R)-5-ethyl-4-hydroxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-N-methylpropanamide;2-hydroxy-N-methylpropanamide;molecular hydrogen.
What is the SMILES notation for (2R,4R,6R)-4-ethyl-5-hydroxy-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one;(2S)-2-[(2R,3S,5R)-5-ethyl-4-hydroxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-N-methylpropanamide;(2R)-2-[(2R,3S,5R)-5-ethyl-4-hydroxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-N-methylpropanamide;2-hydroxy-N-methylpropanamide;molecular hydrogen?
The canonical SMILES for (2R,4R,6R)-4-ethyl-5-hydroxy-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one;(2S)-2-[(2R,3S,5R)-5-ethyl-4-hydroxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-N-methylpropanamide;(2R)-2-[(2R,3S,5R)-5-ethyl-4-hydroxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-N-methylpropanamide;2-hydroxy-N-methylpropanamide;molecular hydrogen is CC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@@H](O[C@@H](C)C(=O)NC)C1O.CC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@@H](O[C@H](C)C(=O)NC)C1O.CC[C@H]1O[C@@H]2[C@H](Oc3nc(=O)c(C)cn32)C1O.CNC(=O)C(C)O.[H][H].[H][H].
What is the InChIKey of (2R,4R,6R)-4-ethyl-5-hydroxy-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one;(2S)-2-[(2R,3S,5R)-5-ethyl-4-hydroxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-N-methylpropanamide;(2R)-2-[(2R,3S,5R)-5-ethyl-4-hydroxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-N-methylpropanamide;2-hydroxy-N-methylpropanamide;molecular hydrogen?
The InChIKey is ZQQNQGZOFYOKTA-BDPWRXRFSA-N. The full InChI is InChI=1S/2C15H23N3O6.C11H14N2O4.C4H9NO2.2H2/c2*1-5-9-10(19)11(23-8(3)13(21)16-4)14(24-9)18-6-7(2)12(20)17-15(18)22;1-3-6-7(14)8-10(16-6)13-4-5(2)9(15)12-11(13)17-8;1-3(6)4(7)5-2;;/h2*6,8-11,14,19H,5H2,1-4H3,(H,16,21)(H,17,20,22);4,6-8,10,14H,3H2,1-2H3;3,6H,1-2H3,(H,5,7);2*1H/t8-,9+,10?,11-,14+;8-,9-,10?,11+,14-;6-,7?,8-,10-;;;/m011.../s1.
What are the key properties of (2R,4R,6R)-4-ethyl-5-hydroxy-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one;(2S)-2-[(2R,3S,5R)-5-ethyl-4-hydroxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-N-methylpropanamide;(2R)-2-[(2R,3S,5R)-5-ethyl-4-hydroxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-N-methylpropanamide;2-hydroxy-N-methylpropanamide;molecular hydrogen?
(2R,4R,6R)-4-ethyl-5-hydroxy-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one;(2S)-2-[(2R,3S,5R)-5-ethyl-4-hydroxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-N-methylpropanamide;(2R)-2-[(2R,3S,5R)-5-ethyl-4-hydroxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-N-methylpropanamide;2-hydroxy-N-methylpropanamide;molecular hydrogen has a molecular weight of 1028.12 g/mol, XLogP of -2.35, 12 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,6R)-4-ethyl-5-hydroxy-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one;(2S)-2-[(2R,3S,5R)-5-ethyl-4-hydroxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-N-methylpropanamide;(2R)-2-[(2R,3S,5R)-5-ethyl-4-hydroxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-N-methylpropanamide;2-hydroxy-N-methylpropanamide;molecular hydrogen is sourced from PubChem (CID 162193619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).