(1S,2S)-2-[[2-[[(1S,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethoxy]methyl]phenyl]methoxy]-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol

C32H50O12 — CID 102376072

IUPAC(1S,2S)-2-[[2-[[(1S,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethoxy]methyl]phenyl]methoxy]-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
SMILESCC1(C)OC[C@H]([C@H](O)[C@H](OCc2ccccc2CO[C@@H]([C@@H](O)[C@H]2COC(C)(C)O2)[C@H]2COC(C)(C)O2)[C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C32H50O12/c1-29(2)37-15-21(41-29)25(33)27(23-17-39-31(5,6)43-23)35-13-19-11-9-10-12-20(19)14-36-28(24-18-40-32(7,8)44-24)26(34)22-16-38-30(3,4)42-22/h9-12,21-28,33-34H,13-18H2,1-8H3/t21-,22-,23-,24-,25+,26+,27-,28-/m1/s1
InChIKeyXYNCLIULNONEEF-UVOVEWRNSA-N
MW626.74 g/mol
LogP2.78
Rot. Bonds12

About (1S,2S)-2-[[2-[[(1S,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethoxy]methyl]phenyl]methoxy]-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol

(1S,2S)-2-[[2-[[(1S,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethoxy]methyl]phenyl]methoxy]-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol (PubChem CID 102376072) has the molecular formula C32H50O12 and a molecular weight of 626.74 g/mol. Its IUPAC name is (1S,2S)-2-[[2-[[(1S,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethoxy]methyl]phenyl]methoxy]-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol.

Molecular Properties

Compound Name(1S,2S)-2-[[2-[[(1S,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethoxy]methyl]phenyl]methoxy]-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
PubChem CID102376072
Molecular FormulaC32H50O12
Molecular Weight626.74 g/mol
Exact Mass626.33
IUPAC Name(1S,2S)-2-[[2-[[(1S,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethoxy]methyl]phenyl]methoxy]-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
SMILESCC1(C)OC[C@H]([C@H](O)[C@H](OCc2ccccc2CO[C@@H]([C@@H](O)[C@H]2COC(C)(C)O2)[C@H]2COC(C)(C)O2)[C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C32H50O12/c1-29(2)37-15-21(41-29)25(33)27(23-17-39-31(5,6)43-23)35-13-19-11-9-10-12-20(19)14-36-28(24-18-40-32(7,8)44-24)26(34)22-16-38-30(3,4)42-22/h9-12,21-28,33-34H,13-18H2,1-8H3/t21-,22-,23-,24-,25+,26+,27-,28-/m1/s1
InChIKeyXYNCLIULNONEEF-UVOVEWRNSA-N
XLogP2.78
TPSA132.76 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.74
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze (1S,2S)-2-[[2-[[(1S,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethoxy]methyl]phenyl]methoxy]-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-[[2-[[(1S,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethoxy]methyl]phenyl]methoxy]-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
The IUPAC name of (1S,2S)-2-[[2-[[(1S,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethoxy]methyl]phenyl]methoxy]-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol (CID 102376072) is (1S,2S)-2-[[2-[[(1S,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethoxy]methyl]phenyl]methoxy]-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol.
What is the SMILES notation for (1S,2S)-2-[[2-[[(1S,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethoxy]methyl]phenyl]methoxy]-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
The canonical SMILES for (1S,2S)-2-[[2-[[(1S,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethoxy]methyl]phenyl]methoxy]-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol is CC1(C)OC[C@H]([C@H](O)[C@H](OCc2ccccc2CO[C@@H]([C@@H](O)[C@H]2COC(C)(C)O2)[C@H]2COC(C)(C)O2)[C@H]2COC(C)(C)O2)O1.
What is the InChIKey of (1S,2S)-2-[[2-[[(1S,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethoxy]methyl]phenyl]methoxy]-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
The InChIKey is XYNCLIULNONEEF-UVOVEWRNSA-N. The full InChI is InChI=1S/C32H50O12/c1-29(2)37-15-21(41-29)25(33)27(23-17-39-31(5,6)43-23)35-13-19-11-9-10-12-20(19)14-36-28(24-18-40-32(7,8)44-24)26(34)22-16-38-30(3,4)42-22/h9-12,21-28,33-34H,13-18H2,1-8H3/t21-,22-,23-,24-,25+,26+,27-,28-/m1/s1.
What are the key properties of (1S,2S)-2-[[2-[[(1S,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethoxy]methyl]phenyl]methoxy]-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
(1S,2S)-2-[[2-[[(1S,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethoxy]methyl]phenyl]methoxy]-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol has a molecular weight of 626.74 g/mol, XLogP of 2.78, 12 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-[[2-[[(1S,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethoxy]methyl]phenyl]methoxy]-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol is sourced from PubChem (CID 102376072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).