1-[(2R,3S,5S)-5-(3-azidopropyl)-5-ethyl-4-hydroxy-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-5-(3-azidopropyl)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;dichloromethane;methane;oxolane;triphenylphosphane;hydrate

C73H94Cl3N10O15P — CID 163501552

IUPAC1-[(2R,3S,5S)-5-(3-azidopropyl)-5-ethyl-4-hydroxy-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-5-(3-azidopropyl)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;dichloromethane;methane;oxolane;triphenylphosphane;hydrate
SMILESC.C.C1CCOC1.CC[C@@]1(CCCN=[N+]=[N-])O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](OC)C1O.CO[C@H]1C(O)[C@](CO)(CCCN=[N+]=[N-])O[C@H]1n1ccc(=O)[nH]c1=O.COc1ccc(C(Cl)(c2ccccc2)c2ccc(OC)cc2)cc1.ClCCl.O.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H19ClO2.C18H15P.C14H21N5O5.C13H19N5O6.C4H8O.CH2Cl2.2CH4.H2O/c1-23-19-12-8-17(9-13-19)21(22,16-6-4-3-5-7-16)18-10-14-20(24-2)15-11-18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-14(6-4-7-16-18-15)11(21)10(23-2)12(24-14)19-8-5-9(20)17-13(19)22;1-23-9-10(21)13(7-19,4-2-5-15-17-14)24-11(9)18-6-3-8(20)16-12(18)22;1-2-4-5-3-1;2-1-3;;;/h3-15H,1-2H3;1-15H;5,8,10-12,21H,3-4,6-7H2,1-2H3,(H,17,20,22);3,6,9-11,19,21H,2,4-5,7H2,1H3,(H,16,20,22);1-4H2;1H2;2*1H4;1H2/t;;10-,11?,12+,14-;9-,10?,11+,13+;;;;;/m..00...../s1
InChIKeyXWBNRLCPGHVOFO-BRVZQMKGSA-N
MW1488.94 g/mol
LogP11.29
Rot. Bonds22

About 1-[(2R,3S,5S)-5-(3-azidopropyl)-5-ethyl-4-hydroxy-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-5-(3-azidopropyl)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;dichloromethane;methane;oxolane;triphenylphosphane;hydrate

1-[(2R,3S,5S)-5-(3-azidopropyl)-5-ethyl-4-hydroxy-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-5-(3-azidopropyl)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;dichloromethane;methane;oxolane;triphenylphosphane;hydrate (PubChem CID 163501552) has the molecular formula C73H94Cl3N10O15P and a molecular weight of 1488.94 g/mol. Its IUPAC name is 1-[(2R,3S,5S)-5-(3-azidopropyl)-5-ethyl-4-hydroxy-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-5-(3-azidopropyl)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;dichloromethane;methane;oxolane;triphenylphosphane;hydrate.

Molecular Properties

Compound Name1-[(2R,3S,5S)-5-(3-azidopropyl)-5-ethyl-4-hydroxy-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-5-(3-azidopropyl)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;dichloromethane;methane;oxolane;triphenylphosphane;hydrate
PubChem CID163501552
Molecular FormulaC73H94Cl3N10O15P
Molecular Weight1488.94 g/mol
Exact Mass1486.57
IUPAC Name1-[(2R,3S,5S)-5-(3-azidopropyl)-5-ethyl-4-hydroxy-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-5-(3-azidopropyl)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;dichloromethane;methane;oxolane;triphenylphosphane;hydrate
SMILESC.C.C1CCOC1.CC[C@@]1(CCCN=[N+]=[N-])O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](OC)C1O.CO[C@H]1C(O)[C@](CO)(CCCN=[N+]=[N-])O[C@H]1n1ccc(=O)[nH]c1=O.COc1ccc(C(Cl)(c2ccccc2)c2ccc(OC)cc2)cc1.ClCCl.O.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H19ClO2.C18H15P.C14H21N5O5.C13H19N5O6.C4H8O.CH2Cl2.2CH4.H2O/c1-23-19-12-8-17(9-13-19)21(22,16-6-4-3-5-7-16)18-10-14-20(24-2)15-11-18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-14(6-4-7-16-18-15)11(21)10(23-2)12(24-14)19-8-5-9(20)17-13(19)22;1-23-9-10(21)13(7-19,4-2-5-15-17-14)24-11(9)18-6-3-8(20)16-12(18)22;1-2-4-5-3-1;2-1-3;;;/h3-15H,1-2H3;1-15H;5,8,10-12,21H,3-4,6-7H2,1-2H3,(H,17,20,22);3,6,9-11,19,21H,2,4-5,7H2,1H3,(H,16,20,22);1-4H2;1H2;2*1H4;1H2/t;;10-,11?,12+,14-;9-,10?,11+,13+;;;;;/m..00...../s1
InChIKeyXWBNRLCPGHVOFO-BRVZQMKGSA-N
XLogP11.29
TPSA364.04 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds22
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001488.94
LogP ≤ 511.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 1-[(2R,3S,5S)-5-(3-azidopropyl)-5-ethyl-4-hydroxy-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-5-(3-azidopropyl)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;dichloromethane;methane;oxolane;triphenylphosphane;hydrate with MolForge

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Related Compounds

1-[(2R,4R,5S)-5-(3-azidopropyl)-5-ethyl-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 174100775
1-[(2R,3R,4R,5R)-3-fluoro-5-(fluoromethyl)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]pyrimidine-2,4-dione
CID 175678020
N-[3-[(2R,3S,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]propyl]-2,2,2-trifluoroacetamide
CID 142377460
1-[(5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 146157216
1-[(2R,3S,4S,5R)-5-(azidomethyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 129152351
1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 11039002
1-[(2R,3S,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 68760496
1-[(2R,6R)-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(hydroxymethyl)-1,4-dioxan-2-yl]pyrimidine-2,4-dione
CID 155680968
1-[4-azido-3-hydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 22677620
1-[(2R,4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]pyrimidine-2,4-dione
CID 169068441
1-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 121431962
1-[(2R,4S,5R)-5-(azidomethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 54139213

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S,5S)-5-(3-azidopropyl)-5-ethyl-4-hydroxy-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-5-(3-azidopropyl)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;dichloromethane;methane;oxolane;triphenylphosphane;hydrate?
The IUPAC name of 1-[(2R,3S,5S)-5-(3-azidopropyl)-5-ethyl-4-hydroxy-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-5-(3-azidopropyl)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;dichloromethane;methane;oxolane;triphenylphosphane;hydrate (CID 163501552) is 1-[(2R,3S,5S)-5-(3-azidopropyl)-5-ethyl-4-hydroxy-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-5-(3-azidopropyl)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;dichloromethane;methane;oxolane;triphenylphosphane;hydrate.
What is the SMILES notation for 1-[(2R,3S,5S)-5-(3-azidopropyl)-5-ethyl-4-hydroxy-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-5-(3-azidopropyl)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;dichloromethane;methane;oxolane;triphenylphosphane;hydrate?
The canonical SMILES for 1-[(2R,3S,5S)-5-(3-azidopropyl)-5-ethyl-4-hydroxy-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-5-(3-azidopropyl)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;dichloromethane;methane;oxolane;triphenylphosphane;hydrate is C.C.C1CCOC1.CC[C@@]1(CCCN=[N+]=[N-])O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](OC)C1O.CO[C@H]1C(O)[C@](CO)(CCCN=[N+]=[N-])O[C@H]1n1ccc(=O)[nH]c1=O.COc1ccc(C(Cl)(c2ccccc2)c2ccc(OC)cc2)cc1.ClCCl.O.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-[(2R,3S,5S)-5-(3-azidopropyl)-5-ethyl-4-hydroxy-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-5-(3-azidopropyl)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;dichloromethane;methane;oxolane;triphenylphosphane;hydrate?
The InChIKey is XWBNRLCPGHVOFO-BRVZQMKGSA-N. The full InChI is InChI=1S/C21H19ClO2.C18H15P.C14H21N5O5.C13H19N5O6.C4H8O.CH2Cl2.2CH4.H2O/c1-23-19-12-8-17(9-13-19)21(22,16-6-4-3-5-7-16)18-10-14-20(24-2)15-11-18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-14(6-4-7-16-18-15)11(21)10(23-2)12(24-14)19-8-5-9(20)17-13(19)22;1-23-9-10(21)13(7-19,4-2-5-15-17-14)24-11(9)18-6-3-8(20)16-12(18)22;1-2-4-5-3-1;2-1-3;;;/h3-15H,1-2H3;1-15H;5,8,10-12,21H,3-4,6-7H2,1-2H3,(H,17,20,22);3,6,9-11,19,21H,2,4-5,7H2,1H3,(H,16,20,22);1-4H2;1H2;2*1H4;1H2/t;;10-,11?,12+,14-;9-,10?,11+,13+;;;;;/m..00...../s1.
What are the key properties of 1-[(2R,3S,5S)-5-(3-azidopropyl)-5-ethyl-4-hydroxy-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-5-(3-azidopropyl)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;dichloromethane;methane;oxolane;triphenylphosphane;hydrate?
1-[(2R,3S,5S)-5-(3-azidopropyl)-5-ethyl-4-hydroxy-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-5-(3-azidopropyl)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;dichloromethane;methane;oxolane;triphenylphosphane;hydrate has a molecular weight of 1488.94 g/mol, XLogP of 11.29, 22 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S,5S)-5-(3-azidopropyl)-5-ethyl-4-hydroxy-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-5-(3-azidopropyl)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;dichloromethane;methane;oxolane;triphenylphosphane;hydrate is sourced from PubChem (CID 163501552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).