5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one;(3S,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-one;5-[(2S,3R,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-phenylmethoxypyridine;(2S,3S,5R)-5-ethyl-3,4-bis(phenylmethoxy)-2-(6-phenylmethoxy-3-pyridinyl)oxolan-2-ol;5-iodo-2-phenylmethoxypyridine

C106H111IN4O19 — CID 161287722

IUPAC5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one;(3S,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-one;5-[(2S,3R,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-phenylmethoxypyridine;(2S,3S,5R)-5-ethyl-3,4-bis(phenylmethoxy)-2-(6-phenylmethoxy-3-pyridinyl)oxolan-2-ol;5-iodo-2-phenylmethoxypyridine
SMILESCC[C@H]1OC(=O)[C@@H](OCc2ccccc2)C1OCc1ccccc1.CC[C@H]1O[C@@H](c2ccc(OCc3ccccc3)nc2)[C@@H](OCc2ccccc2)C1OCc1ccccc1.CC[C@H]1O[C@@](O)(c2ccc(OCc3ccccc3)nc2)[C@@H](OCc2ccccc2)C1OCc1ccccc1.Ic1ccc(OCc2ccccc2)nc1.O=c1ccc([C@@H]2O[C@H](CO)C(O)[C@@H]2O)c[nH]1
InChIInChI=1S/C32H33NO5.C32H33NO4.C20H22O4.C12H10INO.C10H13NO5/c1-2-28-30(36-22-25-14-8-4-9-15-25)31(37-23-26-16-10-5-11-17-26)32(34,38-28)27-18-19-29(33-20-27)35-21-24-12-6-3-7-13-24;1-2-28-31(35-22-25-14-8-4-9-15-25)32(36-23-26-16-10-5-11-17-26)30(37-28)27-18-19-29(33-20-27)34-21-24-12-6-3-7-13-24;1-2-17-18(22-13-15-9-5-3-6-10-15)19(20(21)24-17)23-14-16-11-7-4-8-12-16;13-11-6-7-12(14-8-11)15-9-10-4-2-1-3-5-10;12-4-6-8(14)9(15)10(16-6)5-1-2-7(13)11-3-5/h3-20,28,30-31,34H,2,21-23H2,1H3;3-20,28,30-32H,2,21-23H2,1H3;3-12,17-19H,2,13-14H2,1H3;1-8H,9H2;1-3,6,8-10,12,14-15H,4H2,(H,11,13)/t28-,30?,31+,32+;28-,30+,31?,32-;17-,18?,19+;;6-,8?,9+,10+/m111.1/s1
InChIKeyVFYAAQKOJKWMQF-FGYOTLQYSA-N
MW1871.97 g/mol
LogP17.75
Rot. Bonds34

About 5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one;(3S,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-one;5-[(2S,3R,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-phenylmethoxypyridine;(2S,3S,5R)-5-ethyl-3,4-bis(phenylmethoxy)-2-(6-phenylmethoxy-3-pyridinyl)oxolan-2-ol;5-iodo-2-phenylmethoxypyridine

5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one;(3S,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-one;5-[(2S,3R,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-phenylmethoxypyridine;(2S,3S,5R)-5-ethyl-3,4-bis(phenylmethoxy)-2-(6-phenylmethoxy-3-pyridinyl)oxolan-2-ol;5-iodo-2-phenylmethoxypyridine (PubChem CID 161287722) has the molecular formula C106H111IN4O19 and a molecular weight of 1871.97 g/mol. Its IUPAC name is 5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one;(3S,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-one;5-[(2S,3R,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-phenylmethoxypyridine;(2S,3S,5R)-5-ethyl-3,4-bis(phenylmethoxy)-2-(6-phenylmethoxy-3-pyridinyl)oxolan-2-ol;5-iodo-2-phenylmethoxypyridine.

Molecular Properties

Compound Name5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one;(3S,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-one;5-[(2S,3R,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-phenylmethoxypyridine;(2S,3S,5R)-5-ethyl-3,4-bis(phenylmethoxy)-2-(6-phenylmethoxy-3-pyridinyl)oxolan-2-ol;5-iodo-2-phenylmethoxypyridine
PubChem CID161287722
Molecular FormulaC106H111IN4O19
Molecular Weight1871.97 g/mol
Exact Mass1870.69
IUPAC Name5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one;(3S,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-one;5-[(2S,3R,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-phenylmethoxypyridine;(2S,3S,5R)-5-ethyl-3,4-bis(phenylmethoxy)-2-(6-phenylmethoxy-3-pyridinyl)oxolan-2-ol;5-iodo-2-phenylmethoxypyridine
SMILESCC[C@H]1OC(=O)[C@@H](OCc2ccccc2)C1OCc1ccccc1.CC[C@H]1O[C@@H](c2ccc(OCc3ccccc3)nc2)[C@@H](OCc2ccccc2)C1OCc1ccccc1.CC[C@H]1O[C@@](O)(c2ccc(OCc3ccccc3)nc2)[C@@H](OCc2ccccc2)C1OCc1ccccc1.Ic1ccc(OCc2ccccc2)nc1.O=c1ccc([C@@H]2O[C@H](CO)C(O)[C@@H]2O)c[nH]1
InChIInChI=1S/C32H33NO5.C32H33NO4.C20H22O4.C12H10INO.C10H13NO5/c1-2-28-30(36-22-25-14-8-4-9-15-25)31(37-23-26-16-10-5-11-17-26)32(34,38-28)27-18-19-29(33-20-27)35-21-24-12-6-3-7-13-24;1-2-28-31(35-22-25-14-8-4-9-15-25)32(36-23-26-16-10-5-11-17-26)30(37-28)27-18-19-29(33-20-27)34-21-24-12-6-3-7-13-24;1-2-17-18(22-13-15-9-5-3-6-10-15)19(20(21)24-17)23-14-16-11-7-4-8-12-16;13-11-6-7-12(14-8-11)15-9-10-4-2-1-3-5-10;12-4-6-8(14)9(15)10(16-6)5-1-2-7(13)11-3-5/h3-20,28,30-31,34H,2,21-23H2,1H3;3-20,28,30-32H,2,21-23H2,1H3;3-12,17-19H,2,13-14H2,1H3;1-8H,9H2;1-3,6,8-10,12,14-15H,4H2,(H,11,13)/t28-,30?,31+,32+;28-,30+,31?,32-;17-,18?,19+;;6-,8?,9+,10+/m111.1/s1
InChIKeyVFYAAQKOJKWMQF-FGYOTLQYSA-N
XLogP17.75
TPSA289.51 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds34
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001871.97
LogP ≤ 517.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one;(3S,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-one;5-[(2S,3R,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-phenylmethoxypyridine;(2S,3S,5R)-5-ethyl-3,4-bis(phenylmethoxy)-2-(6-phenylmethoxy-3-pyridinyl)oxolan-2-ol;5-iodo-2-phenylmethoxypyridine with MolForge

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Related Compounds

silver;bromomethylbenzene;3-bromo-2-methyl-6-phenylmethoxypyridine;(3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-one;5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyridin-2-one;(3S,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-one;3-[(2S,3R,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-methyl-6-phenylmethoxypyridine;(2S,3S,5R)-5-ethyl-2-(2-methyl-6-phenylmethoxy-3-pyridinyl)-3,4-bis(phenylmethoxy)oxolan-2-ol;hydroperoxymethanone;(3S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;methane;silver
CID 161050943
(2S,3S,5R)-5-ethyl-2-(3-methyl-5-phenylmethoxypyrazin-2-yl)-3,4-bis(phenylmethoxy)oxolan-2-ol
CID 159215203
(3S,5R)-5-ethyl-2-(2-fluoro-6-phenylmethoxy-3-pyridinyl)-3,4-bis(phenylmethoxy)oxolan-2-ol
CID 122543812
lithium;2-aminopyridine-3-carboxamide;3-bromo-8H-quinolin-2-one;3-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,8-naphthyridin-2-one;(3S,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-one;3-[(2S,3R,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-1H-1,8-naphthyridin-2-one;3-[(2S,3S,5R)-5-ethyl-2-hydroxy-3,4-bis(phenylmethoxy)oxolan-2-yl]-1H-1,8-naphthyridin-2-one;methyl 3-oxobutanoate;methyl 2-oxo-8H-quinoline-3-carboxylate;molecular bromine;2-oxo-8H-quinoline-3-carboxylic acid;hydroxide;hydrate
CID 158584929
5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-ol
CID 20743032
3-[(2S,4S,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-fluoro-6-phenylmethoxypyridine
CID 118149175
(2S,3S,4S,5S,6S)-6-(hydroxymethyl)-3-phenylmethoxyoxane-2,4,5-triol
CID 91699471
(2S,3R,4R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-ethyl-4-methyl-3-phenylmethoxyoxolan-2-ol;chloro-[2-[chloro(dimethyl)silyl]ethyl]-dimethylsilane;(3R,4R,5R)-5-ethyl-4-methyl-3-phenylmethoxyoxolan-2-one;7-iodopyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 157070537
2-chloro-5-[(2S,3S,4S,5R,6R)-6-ethyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]benzoic acid
CID 58242648
(3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one
CID 130757032
(3R,4S,5R,6R)-2-(difluoromethylidene)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxane;(3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-one
CID 123693532
(2S,3S,4S)-2-(hydroxymethyl)-5-phenylmethoxyoxolane-3,4-diol
CID 54063014

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one;(3S,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-one;5-[(2S,3R,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-phenylmethoxypyridine;(2S,3S,5R)-5-ethyl-3,4-bis(phenylmethoxy)-2-(6-phenylmethoxy-3-pyridinyl)oxolan-2-ol;5-iodo-2-phenylmethoxypyridine?
The IUPAC name of 5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one;(3S,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-one;5-[(2S,3R,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-phenylmethoxypyridine;(2S,3S,5R)-5-ethyl-3,4-bis(phenylmethoxy)-2-(6-phenylmethoxy-3-pyridinyl)oxolan-2-ol;5-iodo-2-phenylmethoxypyridine (CID 161287722) is 5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one;(3S,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-one;5-[(2S,3R,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-phenylmethoxypyridine;(2S,3S,5R)-5-ethyl-3,4-bis(phenylmethoxy)-2-(6-phenylmethoxy-3-pyridinyl)oxolan-2-ol;5-iodo-2-phenylmethoxypyridine.
What is the SMILES notation for 5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one;(3S,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-one;5-[(2S,3R,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-phenylmethoxypyridine;(2S,3S,5R)-5-ethyl-3,4-bis(phenylmethoxy)-2-(6-phenylmethoxy-3-pyridinyl)oxolan-2-ol;5-iodo-2-phenylmethoxypyridine?
The canonical SMILES for 5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one;(3S,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-one;5-[(2S,3R,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-phenylmethoxypyridine;(2S,3S,5R)-5-ethyl-3,4-bis(phenylmethoxy)-2-(6-phenylmethoxy-3-pyridinyl)oxolan-2-ol;5-iodo-2-phenylmethoxypyridine is CC[C@H]1OC(=O)[C@@H](OCc2ccccc2)C1OCc1ccccc1.CC[C@H]1O[C@@H](c2ccc(OCc3ccccc3)nc2)[C@@H](OCc2ccccc2)C1OCc1ccccc1.CC[C@H]1O[C@@](O)(c2ccc(OCc3ccccc3)nc2)[C@@H](OCc2ccccc2)C1OCc1ccccc1.Ic1ccc(OCc2ccccc2)nc1.O=c1ccc([C@@H]2O[C@H](CO)C(O)[C@@H]2O)c[nH]1.
What is the InChIKey of 5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one;(3S,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-one;5-[(2S,3R,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-phenylmethoxypyridine;(2S,3S,5R)-5-ethyl-3,4-bis(phenylmethoxy)-2-(6-phenylmethoxy-3-pyridinyl)oxolan-2-ol;5-iodo-2-phenylmethoxypyridine?
The InChIKey is VFYAAQKOJKWMQF-FGYOTLQYSA-N. The full InChI is InChI=1S/C32H33NO5.C32H33NO4.C20H22O4.C12H10INO.C10H13NO5/c1-2-28-30(36-22-25-14-8-4-9-15-25)31(37-23-26-16-10-5-11-17-26)32(34,38-28)27-18-19-29(33-20-27)35-21-24-12-6-3-7-13-24;1-2-28-31(35-22-25-14-8-4-9-15-25)32(36-23-26-16-10-5-11-17-26)30(37-28)27-18-19-29(33-20-27)34-21-24-12-6-3-7-13-24;1-2-17-18(22-13-15-9-5-3-6-10-15)19(20(21)24-17)23-14-16-11-7-4-8-12-16;13-11-6-7-12(14-8-11)15-9-10-4-2-1-3-5-10;12-4-6-8(14)9(15)10(16-6)5-1-2-7(13)11-3-5/h3-20,28,30-31,34H,2,21-23H2,1H3;3-20,28,30-32H,2,21-23H2,1H3;3-12,17-19H,2,13-14H2,1H3;1-8H,9H2;1-3,6,8-10,12,14-15H,4H2,(H,11,13)/t28-,30?,31+,32+;28-,30+,31?,32-;17-,18?,19+;;6-,8?,9+,10+/m111.1/s1.
What are the key properties of 5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one;(3S,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-one;5-[(2S,3R,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-phenylmethoxypyridine;(2S,3S,5R)-5-ethyl-3,4-bis(phenylmethoxy)-2-(6-phenylmethoxy-3-pyridinyl)oxolan-2-ol;5-iodo-2-phenylmethoxypyridine?
5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one;(3S,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-one;5-[(2S,3R,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-phenylmethoxypyridine;(2S,3S,5R)-5-ethyl-3,4-bis(phenylmethoxy)-2-(6-phenylmethoxy-3-pyridinyl)oxolan-2-ol;5-iodo-2-phenylmethoxypyridine has a molecular weight of 1871.97 g/mol, XLogP of 17.75, 34 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one;(3S,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-one;5-[(2S,3R,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-phenylmethoxypyridine;(2S,3S,5R)-5-ethyl-3,4-bis(phenylmethoxy)-2-(6-phenylmethoxy-3-pyridinyl)oxolan-2-ol;5-iodo-2-phenylmethoxypyridine is sourced from PubChem (CID 161287722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).