bis((2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-nitroindol-1-yl)oxolane-3,4-diol);(2R,3R)-2-ethyl-5-methoxy-3,4-dimethyloxolane;(2R,3R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol;(4R,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol

C88H104N4O28 — CID 91417635

IUPACbis((2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-nitroindol-1-yl)oxolane-3,4-diol);(2R,3R)-2-ethyl-5-methoxy-3,4-dimethyloxolane;(2R,3R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol;(4R,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol
SMILESCC[C@H]1OC(OC)C(C)[C@H]1C.COC1O[C@H](CO)[C@H](O)C1O.COc1ccc(C(OC[C@H]2O[C@@H](n3ccc4cc([N+](=O)[O-])ccc43)C(O)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OC[C@H]2O[C@@H](n3ccc4cc([N+](=O)[O-])ccc43)C(O)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1.OC[C@H]1OC(O)C(O)[C@H]1O
InChIInChI=1S/2C34H32N2O8.C9H18O2.C6H12O5.C5H10O5/c2*1-41-27-13-8-24(9-14-27)34(23-6-4-3-5-7-23,25-10-15-28(42-2)16-11-25)43-21-30-31(37)32(38)33(44-30)35-19-18-22-20-26(36(39)40)12-17-29(22)35;1-5-8-6(2)7(3)9(10-4)11-8;1-10-6-5(9)4(8)3(2-7)11-6;6-1-2-3(7)4(8)5(9)10-2/h2*3-20,30-33,37-38H,21H2,1-2H3;6-9H,5H2,1-4H3;3-9H,2H2,1H3;2-9H,1H2/t2*30-,31+,32?,33-;6-,7?,8-,9?;3-,4+,5?,6?;2-,3+,4?,5?/m11111/s1
InChIKeyBBWQNDYERAIUQG-QYOHLYRXSA-N
MW1665.80 g/mol
LogP7.92
Rot. Bonds25

About bis((2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-nitroindol-1-yl)oxolane-3,4-diol);(2R,3R)-2-ethyl-5-methoxy-3,4-dimethyloxolane;(2R,3R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol;(4R,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol

bis((2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-nitroindol-1-yl)oxolane-3,4-diol);(2R,3R)-2-ethyl-5-methoxy-3,4-dimethyloxolane;(2R,3R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol;(4R,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol (PubChem CID 91417635) has the molecular formula C88H104N4O28 and a molecular weight of 1665.80 g/mol. Its IUPAC name is bis((2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-nitroindol-1-yl)oxolane-3,4-diol);(2R,3R)-2-ethyl-5-methoxy-3,4-dimethyloxolane;(2R,3R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol;(4R,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol.

Molecular Properties

Compound Namebis((2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-nitroindol-1-yl)oxolane-3,4-diol);(2R,3R)-2-ethyl-5-methoxy-3,4-dimethyloxolane;(2R,3R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol;(4R,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol
PubChem CID91417635
Molecular FormulaC88H104N4O28
Molecular Weight1665.80 g/mol
Exact Mass1664.68
IUPAC Namebis((2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-nitroindol-1-yl)oxolane-3,4-diol);(2R,3R)-2-ethyl-5-methoxy-3,4-dimethyloxolane;(2R,3R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol;(4R,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol
SMILESCC[C@H]1OC(OC)C(C)[C@H]1C.COC1O[C@H](CO)[C@H](O)C1O.COc1ccc(C(OC[C@H]2O[C@@H](n3ccc4cc([N+](=O)[O-])ccc43)C(O)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OC[C@H]2O[C@@H](n3ccc4cc([N+](=O)[O-])ccc43)C(O)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1.OC[C@H]1OC(O)C(O)[C@H]1O
InChIInChI=1S/2C34H32N2O8.C9H18O2.C6H12O5.C5H10O5/c2*1-41-27-13-8-24(9-14-27)34(23-6-4-3-5-7-23,25-10-15-28(42-2)16-11-25)43-21-30-31(37)32(38)33(44-30)35-19-18-22-20-26(36(39)40)12-17-29(22)35;1-5-8-6(2)7(3)9(10-4)11-8;1-10-6-5(9)4(8)3(2-7)11-6;6-1-2-3(7)4(8)5(9)10-2/h2*3-20,30-33,37-38H,21H2,1-2H3;6-9H,5H2,1-4H3;3-9H,2H2,1H3;2-9H,1H2/t2*30-,31+,32?,33-;6-,7?,8-,9?;3-,4+,5?,6?;2-,3+,4?,5?/m11111/s1
InChIKeyBBWQNDYERAIUQG-QYOHLYRXSA-N
XLogP7.92
TPSA438.66 Ų
H-Bond Donors11
H-Bond Acceptors30
Rotatable Bonds25
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001665.80
LogP ≤ 57.92
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze bis((2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-nitroindol-1-yl)oxolane-3,4-diol);(2R,3R)-2-ethyl-5-methoxy-3,4-dimethyloxolane;(2R,3R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol;(4R,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol with MolForge

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Related Compounds

(2S,3R,4S,5R)-2-methoxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolane-3,4-diol
CID 102329501
(2R,3S,4R)-2-(hydroxymethyl)-5-(5-nitroindol-1-yl)oxolane-3,4-diol
CID 11197152
(2S,3S,4S,5S,6R)-2-methoxy-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxane-3,4,5-triol
CID 10994273
2-methoxy-5-(trityloxymethyl)oxolane-3,4-diol
CID 618218
(2S,3R,4S,5R)-2-methoxy-5-(trityloxymethyl)oxolane-3,4-diol
CID 70409526
1-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 124898084
1-[(2R,3S,4R,5S)-3,4-dihydroxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 51689230
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-nitroindol-1-yl)oxolane-3,4-diol
CID 14703262
4-amino-1-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one
CID 14410867
(2R,3R,4S,5R,6R)-2-methoxy-6-(trityloxymethyl)oxane-3,4,5-triol
CID 21139713
(2S,3R,4R,5S,6S)-2-methoxy-6-(trityloxymethyl)oxane-3,4,5-triol
CID 7332588
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[(3-methoxyphenyl)-(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-2-yl]pyrimidin-2-one
CID 122446943

Frequently Asked Questions

What is the IUPAC name of bis((2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-nitroindol-1-yl)oxolane-3,4-diol);(2R,3R)-2-ethyl-5-methoxy-3,4-dimethyloxolane;(2R,3R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol;(4R,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol?
The IUPAC name of bis((2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-nitroindol-1-yl)oxolane-3,4-diol);(2R,3R)-2-ethyl-5-methoxy-3,4-dimethyloxolane;(2R,3R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol;(4R,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol (CID 91417635) is bis((2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-nitroindol-1-yl)oxolane-3,4-diol);(2R,3R)-2-ethyl-5-methoxy-3,4-dimethyloxolane;(2R,3R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol;(4R,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol.
What is the SMILES notation for bis((2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-nitroindol-1-yl)oxolane-3,4-diol);(2R,3R)-2-ethyl-5-methoxy-3,4-dimethyloxolane;(2R,3R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol;(4R,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol?
The canonical SMILES for bis((2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-nitroindol-1-yl)oxolane-3,4-diol);(2R,3R)-2-ethyl-5-methoxy-3,4-dimethyloxolane;(2R,3R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol;(4R,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol is CC[C@H]1OC(OC)C(C)[C@H]1C.COC1O[C@H](CO)[C@H](O)C1O.COc1ccc(C(OC[C@H]2O[C@@H](n3ccc4cc([N+](=O)[O-])ccc43)C(O)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OC[C@H]2O[C@@H](n3ccc4cc([N+](=O)[O-])ccc43)C(O)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1.OC[C@H]1OC(O)C(O)[C@H]1O.
What is the InChIKey of bis((2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-nitroindol-1-yl)oxolane-3,4-diol);(2R,3R)-2-ethyl-5-methoxy-3,4-dimethyloxolane;(2R,3R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol;(4R,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol?
The InChIKey is BBWQNDYERAIUQG-QYOHLYRXSA-N. The full InChI is InChI=1S/2C34H32N2O8.C9H18O2.C6H12O5.C5H10O5/c2*1-41-27-13-8-24(9-14-27)34(23-6-4-3-5-7-23,25-10-15-28(42-2)16-11-25)43-21-30-31(37)32(38)33(44-30)35-19-18-22-20-26(36(39)40)12-17-29(22)35;1-5-8-6(2)7(3)9(10-4)11-8;1-10-6-5(9)4(8)3(2-7)11-6;6-1-2-3(7)4(8)5(9)10-2/h2*3-20,30-33,37-38H,21H2,1-2H3;6-9H,5H2,1-4H3;3-9H,2H2,1H3;2-9H,1H2/t2*30-,31+,32?,33-;6-,7?,8-,9?;3-,4+,5?,6?;2-,3+,4?,5?/m11111/s1.
What are the key properties of bis((2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-nitroindol-1-yl)oxolane-3,4-diol);(2R,3R)-2-ethyl-5-methoxy-3,4-dimethyloxolane;(2R,3R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol;(4R,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol?
bis((2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-nitroindol-1-yl)oxolane-3,4-diol);(2R,3R)-2-ethyl-5-methoxy-3,4-dimethyloxolane;(2R,3R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol;(4R,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol has a molecular weight of 1665.80 g/mol, XLogP of 7.92, 25 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-nitroindol-1-yl)oxolane-3,4-diol);(2R,3R)-2-ethyl-5-methoxy-3,4-dimethyloxolane;(2R,3R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol;(4R,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol is sourced from PubChem (CID 91417635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).