(2S,3S,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(naphthalen-2-ylmethoxy)-2,3-bis(phenylmethoxy)butan-1-ol

C34H38O6 — CID 25193976

IUPAC(2S,3S,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(naphthalen-2-ylmethoxy)-2,3-bis(phenylmethoxy)butan-1-ol
SMILESCC1(C)OC[C@H]([C@@H](OCc2ccc3ccccc3c2)[C@@H](OCc2ccccc2)[C@H](CO)OCc2ccccc2)O1
InChIInChI=1S/C34H38O6/c1-34(2)39-24-31(40-34)33(38-23-27-17-18-28-15-9-10-16-29(28)19-27)32(37-22-26-13-7-4-8-14-26)30(20-35)36-21-25-11-5-3-6-12-25/h3-19,30-33,35H,20-24H2,1-2H3/t30-,31+,32-,33+/m0/s1
InChIKeyFVZYBLWACMWQCF-ISSPZXTRSA-N
MW542.67 g/mol
LogP6.04
Rot. Bonds13

About (2S,3S,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(naphthalen-2-ylmethoxy)-2,3-bis(phenylmethoxy)butan-1-ol

(2S,3S,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(naphthalen-2-ylmethoxy)-2,3-bis(phenylmethoxy)butan-1-ol (PubChem CID 25193976) has the molecular formula C34H38O6 and a molecular weight of 542.67 g/mol. Its IUPAC name is (2S,3S,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(naphthalen-2-ylmethoxy)-2,3-bis(phenylmethoxy)butan-1-ol.

Molecular Properties

Compound Name(2S,3S,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(naphthalen-2-ylmethoxy)-2,3-bis(phenylmethoxy)butan-1-ol
PubChem CID25193976
Molecular FormulaC34H38O6
Molecular Weight542.67 g/mol
Exact Mass542.27
IUPAC Name(2S,3S,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(naphthalen-2-ylmethoxy)-2,3-bis(phenylmethoxy)butan-1-ol
SMILESCC1(C)OC[C@H]([C@@H](OCc2ccc3ccccc3c2)[C@@H](OCc2ccccc2)[C@H](CO)OCc2ccccc2)O1
InChIInChI=1S/C34H38O6/c1-34(2)39-24-31(40-34)33(38-23-27-17-18-28-15-9-10-16-29(28)19-27)32(37-22-26-13-7-4-8-14-26)30(20-35)36-21-25-11-5-3-6-12-25/h3-19,30-33,35H,20-24H2,1-2H3/t30-,31+,32-,33+/m0/s1
InChIKeyFVZYBLWACMWQCF-ISSPZXTRSA-N
XLogP6.04
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.67
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S,3S,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(naphthalen-2-ylmethoxy)-2,3-bis(phenylmethoxy)butan-1-ol with MolForge

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Related Compounds

(2S,3R,4S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3,4-tris(phenylmethoxy)butan-1-ol
CID 15385583
(4R)-2,2-dimethyl-4-[(1S,2R)-2-[(2R)-oxiran-2-yl]-1,2-bis(phenylmethoxy)ethyl]-1,3-dioxolane
CID 102375766
(1R,2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-phenylmethoxypent-4-en-2-ol
CID 134906102
ethyl (E,4S,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4,5,6-tris(phenylmethoxy)hex-2-enoate
CID 11478530
(3R,4S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-bis(phenylmethoxy)-1-(3,4,5-trimethoxyphenyl)butan-1-one
CID 134883106
(4aR,6R,7S)-7-fluoro-2,2-dimethyl-6-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine;(2R,4S,5R)-4-fluoro-2-(hydroxymethyl)-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]oxolan-3-ol
CID 158866324
3-[4-(3,5-dichlorophenyl)phenyl]-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-phenylmethoxypropan-2-ol
CID 123536933
(4R)-2,2-dimethyl-4-[(E,1R)-2-methyl-1-phenylmethoxybut-2-enyl]-1,3-dioxolane
CID 15311099
(3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-phenylmethoxypropane-1,2-diol
CID 72708076
(2R,3S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-3-phenylmethoxybutan-1-ol
CID 10517901
(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-difluoro-4-phenylmethoxybutane-1,2-diol
CID 11461711
(2R,3R,4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4,5-bis(phenylmethoxy)-1-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pentane-2,3-diol
CID 10057111

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(naphthalen-2-ylmethoxy)-2,3-bis(phenylmethoxy)butan-1-ol?
The IUPAC name of (2S,3S,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(naphthalen-2-ylmethoxy)-2,3-bis(phenylmethoxy)butan-1-ol (CID 25193976) is (2S,3S,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(naphthalen-2-ylmethoxy)-2,3-bis(phenylmethoxy)butan-1-ol.
What is the SMILES notation for (2S,3S,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(naphthalen-2-ylmethoxy)-2,3-bis(phenylmethoxy)butan-1-ol?
The canonical SMILES for (2S,3S,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(naphthalen-2-ylmethoxy)-2,3-bis(phenylmethoxy)butan-1-ol is CC1(C)OC[C@H]([C@@H](OCc2ccc3ccccc3c2)[C@@H](OCc2ccccc2)[C@H](CO)OCc2ccccc2)O1.
What is the InChIKey of (2S,3S,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(naphthalen-2-ylmethoxy)-2,3-bis(phenylmethoxy)butan-1-ol?
The InChIKey is FVZYBLWACMWQCF-ISSPZXTRSA-N. The full InChI is InChI=1S/C34H38O6/c1-34(2)39-24-31(40-34)33(38-23-27-17-18-28-15-9-10-16-29(28)19-27)32(37-22-26-13-7-4-8-14-26)30(20-35)36-21-25-11-5-3-6-12-25/h3-19,30-33,35H,20-24H2,1-2H3/t30-,31+,32-,33+/m0/s1.
What are the key properties of (2S,3S,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(naphthalen-2-ylmethoxy)-2,3-bis(phenylmethoxy)butan-1-ol?
(2S,3S,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(naphthalen-2-ylmethoxy)-2,3-bis(phenylmethoxy)butan-1-ol has a molecular weight of 542.67 g/mol, XLogP of 6.04, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(naphthalen-2-ylmethoxy)-2,3-bis(phenylmethoxy)butan-1-ol is sourced from PubChem (CID 25193976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).