(S)-(3,4-dimethoxyphenyl)-[(3R,4S,5R)-4-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)oxolan-3-yl]methanol

C23H30O8 — CID 25233910

IUPAC(S)-(3,4-dimethoxyphenyl)-[(3R,4S,5R)-4-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)oxolan-3-yl]methanol
SMILESCOc1ccc([C@@H](O)[C@H]2CO[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]2CO)cc1OC
InChIInChI=1S/C23H30O8/c1-26-17-7-6-13(8-18(17)27-2)21(25)16-12-31-22(15(16)11-24)14-9-19(28-3)23(30-5)20(10-14)29-4/h6-10,15-16,21-22,24-25H,11-12H2,1-5H3/t15-,16+,21-,22+/m1/s1
InChIKeyHIVHBYHHZGTBDZ-ZXJYCPGTSA-N
MW434.49 g/mol
LogP2.76
Rot. Bonds9

About (S)-(3,4-dimethoxyphenyl)-[(3R,4S,5R)-4-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)oxolan-3-yl]methanol

(S)-(3,4-dimethoxyphenyl)-[(3R,4S,5R)-4-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)oxolan-3-yl]methanol (PubChem CID 25233910) has the molecular formula C23H30O8 and a molecular weight of 434.49 g/mol. Its IUPAC name is (S)-(3,4-dimethoxyphenyl)-[(3R,4S,5R)-4-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)oxolan-3-yl]methanol.

Molecular Properties

Compound Name(S)-(3,4-dimethoxyphenyl)-[(3R,4S,5R)-4-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)oxolan-3-yl]methanol
PubChem CID25233910
Molecular FormulaC23H30O8
Molecular Weight434.49 g/mol
Exact Mass434.19
IUPAC Name(S)-(3,4-dimethoxyphenyl)-[(3R,4S,5R)-4-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)oxolan-3-yl]methanol
SMILESCOc1ccc([C@@H](O)[C@H]2CO[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]2CO)cc1OC
InChIInChI=1S/C23H30O8/c1-26-17-7-6-13(8-18(17)27-2)21(25)16-12-31-22(15(16)11-24)14-9-19(28-3)23(30-5)20(10-14)29-4/h6-10,15-16,21-22,24-25H,11-12H2,1-5H3/t15-,16+,21-,22+/m1/s1
InChIKeyHIVHBYHHZGTBDZ-ZXJYCPGTSA-N
XLogP2.76
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(R)-[(3S,4S,5S)-5-(3,4-dimethoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]-(3,4,5-trimethoxyphenyl)methanol
CID 101145312
4-[4-[1-(4-hydroxy-3-methoxyphenyl)ethyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol
CID 70849141
[(3R,4R,5S)-5-(3,4-dimethoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 10025797
[5-(3,4-dimethoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 72743737
(3S,3aS,6R,6aR)-3-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
CID 163081076
4-[(2R,3S,4R)-3-(hydroxymethyl)-4-[(4-hydroxyphenyl)-methoxymethyl]oxolan-2-yl]phenol
CID 42639502
4-[(2R,3S,4R)-3-(hydroxymethyl)-4-[(R)-(4-hydroxyphenyl)-methoxymethyl]oxolan-2-yl]phenol
CID 163186605
4-[3-(hydroxymethyl)-4-[(4-hydroxyphenyl)-methoxymethyl]oxolan-2-yl]phenol
CID 56682952
(3S,4S)-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one;(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one;(3S,4S)-4-[(S)-hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one;4-[[(3S,4S,5R)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenol
CID 159825283
4-[[(3R,4R,5S)-4-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)oxolan-3-yl]methyl]-2-methoxyphenol
CID 14655034
[(2S,3R,4R)-4-[(4-phenylphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)oxolan-3-yl]methanol
CID 118606462
(3R,3aR,6S,6aR)-3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
CID 10049223

Frequently Asked Questions

What is the IUPAC name of (S)-(3,4-dimethoxyphenyl)-[(3R,4S,5R)-4-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)oxolan-3-yl]methanol?
The IUPAC name of (S)-(3,4-dimethoxyphenyl)-[(3R,4S,5R)-4-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)oxolan-3-yl]methanol (CID 25233910) is (S)-(3,4-dimethoxyphenyl)-[(3R,4S,5R)-4-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)oxolan-3-yl]methanol.
What is the SMILES notation for (S)-(3,4-dimethoxyphenyl)-[(3R,4S,5R)-4-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)oxolan-3-yl]methanol?
The canonical SMILES for (S)-(3,4-dimethoxyphenyl)-[(3R,4S,5R)-4-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)oxolan-3-yl]methanol is COc1ccc([C@@H](O)[C@H]2CO[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]2CO)cc1OC.
What is the InChIKey of (S)-(3,4-dimethoxyphenyl)-[(3R,4S,5R)-4-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)oxolan-3-yl]methanol?
The InChIKey is HIVHBYHHZGTBDZ-ZXJYCPGTSA-N. The full InChI is InChI=1S/C23H30O8/c1-26-17-7-6-13(8-18(17)27-2)21(25)16-12-31-22(15(16)11-24)14-9-19(28-3)23(30-5)20(10-14)29-4/h6-10,15-16,21-22,24-25H,11-12H2,1-5H3/t15-,16+,21-,22+/m1/s1.
What are the key properties of (S)-(3,4-dimethoxyphenyl)-[(3R,4S,5R)-4-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)oxolan-3-yl]methanol?
(S)-(3,4-dimethoxyphenyl)-[(3R,4S,5R)-4-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)oxolan-3-yl]methanol has a molecular weight of 434.49 g/mol, XLogP of 2.76, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3,4-dimethoxyphenyl)-[(3R,4S,5R)-4-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)oxolan-3-yl]methanol is sourced from PubChem (CID 25233910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).