(2S,3S)-1,4-bis[(3,4,5-trimethoxyphenyl)methoxy]butane-2,3-diol

C24H34O10 — CID 175639700

IUPAC(2S,3S)-1,4-bis[(3,4,5-trimethoxyphenyl)methoxy]butane-2,3-diol
SMILESCOc1cc(COC[C@H](O)[C@@H](O)COCc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChIInChI=1S/C24H34O10/c1-27-19-7-15(8-20(28-2)23(19)31-5)11-33-13-17(25)18(26)14-34-12-16-9-21(29-3)24(32-6)22(10-16)30-4/h7-10,17-18,25-26H,11-14H2,1-6H3/t17-,18-/m0/s1
InChIKeyZQVAGUTYCQRDPF-ROUUACIJSA-N
MW482.53 g/mol
LogP2.19
Rot. Bonds15

About (2S,3S)-1,4-bis[(3,4,5-trimethoxyphenyl)methoxy]butane-2,3-diol

(2S,3S)-1,4-bis[(3,4,5-trimethoxyphenyl)methoxy]butane-2,3-diol (PubChem CID 175639700) has the molecular formula C24H34O10 and a molecular weight of 482.53 g/mol. Its IUPAC name is (2S,3S)-1,4-bis[(3,4,5-trimethoxyphenyl)methoxy]butane-2,3-diol.

Molecular Properties

Compound Name(2S,3S)-1,4-bis[(3,4,5-trimethoxyphenyl)methoxy]butane-2,3-diol
PubChem CID175639700
Molecular FormulaC24H34O10
Molecular Weight482.53 g/mol
Exact Mass482.22
IUPAC Name(2S,3S)-1,4-bis[(3,4,5-trimethoxyphenyl)methoxy]butane-2,3-diol
SMILESCOc1cc(COC[C@H](O)[C@@H](O)COCc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChIInChI=1S/C24H34O10/c1-27-19-7-15(8-20(28-2)23(19)31-5)11-33-13-17(25)18(26)14-34-12-16-9-21(29-3)24(32-6)22(10-16)30-4/h7-10,17-18,25-26H,11-14H2,1-6H3/t17-,18-/m0/s1
InChIKeyZQVAGUTYCQRDPF-ROUUACIJSA-N
XLogP2.19
TPSA114.30 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.53
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

(3,4,5-trimethoxyphenyl)methoxymethanol
CID 167081635
1-thiomorpholin-4-yl-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol chloride
CID 21237646
(2S)-1-(4-methylpiperidin-1-yl)-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol
CID 40604099
1-[cyclohexyl(methyl)amino]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol
CID 3416277
(2S)-1-[(2R)-2-methylpiperidin-1-ium-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol
CID 7818080
5-(hexoxymethyl)-1,2,3-trimethoxybenzene
CID 54336542
(2R,3R,4R,5S)-6-[(4-hydroxy-3-methoxyphenyl)methoxy]hexane-1,2,3,4,5-pentol
CID 91251641
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol dichloride
CID 21237473
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol
CID 2866603
2,3-dimethyl-1,4-bis(3,4,5-trimethoxyphenyl)butane-2,3-diol
CID 10939314
5-[(3,4,5-trimethoxyphenyl)methoxy]pentan-1-amine
CID 82353691
1-amino-3-(3,4,5-trimethoxyphenyl)propan-2-ol
CID 112508543

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1,4-bis[(3,4,5-trimethoxyphenyl)methoxy]butane-2,3-diol?
The IUPAC name of (2S,3S)-1,4-bis[(3,4,5-trimethoxyphenyl)methoxy]butane-2,3-diol (CID 175639700) is (2S,3S)-1,4-bis[(3,4,5-trimethoxyphenyl)methoxy]butane-2,3-diol.
What is the SMILES notation for (2S,3S)-1,4-bis[(3,4,5-trimethoxyphenyl)methoxy]butane-2,3-diol?
The canonical SMILES for (2S,3S)-1,4-bis[(3,4,5-trimethoxyphenyl)methoxy]butane-2,3-diol is COc1cc(COC[C@H](O)[C@@H](O)COCc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC.
What is the InChIKey of (2S,3S)-1,4-bis[(3,4,5-trimethoxyphenyl)methoxy]butane-2,3-diol?
The InChIKey is ZQVAGUTYCQRDPF-ROUUACIJSA-N. The full InChI is InChI=1S/C24H34O10/c1-27-19-7-15(8-20(28-2)23(19)31-5)11-33-13-17(25)18(26)14-34-12-16-9-21(29-3)24(32-6)22(10-16)30-4/h7-10,17-18,25-26H,11-14H2,1-6H3/t17-,18-/m0/s1.
What are the key properties of (2S,3S)-1,4-bis[(3,4,5-trimethoxyphenyl)methoxy]butane-2,3-diol?
(2S,3S)-1,4-bis[(3,4,5-trimethoxyphenyl)methoxy]butane-2,3-diol has a molecular weight of 482.53 g/mol, XLogP of 2.19, 15 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1,4-bis[(3,4,5-trimethoxyphenyl)methoxy]butane-2,3-diol is sourced from PubChem (CID 175639700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).