(2R,3S,6R)-2-methyl-6-[(2R,3S,6R)-2-methyl-6-[(2R,3S,6S)-2-methyl-6-phenylmethoxyoxan-3-yl]oxyoxan-3-yl]oxyoxan-3-ol

C25H38O7 — CID 102291667

IUPAC(2R,3S,6R)-2-methyl-6-[(2R,3S,6R)-2-methyl-6-[(2R,3S,6S)-2-methyl-6-phenylmethoxyoxan-3-yl]oxyoxan-3-yl]oxyoxan-3-ol
SMILESC[C@H]1O[C@H](OCc2ccccc2)CC[C@@H]1O[C@@H]1CC[C@H](O[C@@H]2CC[C@H](O)[C@@H](C)O2)[C@@H](C)O1
InChIInChI=1S/C25H38O7/c1-16-20(26)9-12-24(28-16)31-22-11-14-25(30-18(22)3)32-21-10-13-23(29-17(21)2)27-15-19-7-5-4-6-8-19/h4-8,16-18,20-26H,9-15H2,1-3H3/t16-,17-,18-,20+,21+,22+,23+,24-,25-/m1/s1
InChIKeyDDFCTDOMVGTAGY-RDVJXYLVSA-N
MW450.57 g/mol
LogP3.91
Rot. Bonds7

About (2R,3S,6R)-2-methyl-6-[(2R,3S,6R)-2-methyl-6-[(2R,3S,6S)-2-methyl-6-phenylmethoxyoxan-3-yl]oxyoxan-3-yl]oxyoxan-3-ol

(2R,3S,6R)-2-methyl-6-[(2R,3S,6R)-2-methyl-6-[(2R,3S,6S)-2-methyl-6-phenylmethoxyoxan-3-yl]oxyoxan-3-yl]oxyoxan-3-ol (PubChem CID 102291667) has the molecular formula C25H38O7 and a molecular weight of 450.57 g/mol. Its IUPAC name is (2R,3S,6R)-2-methyl-6-[(2R,3S,6R)-2-methyl-6-[(2R,3S,6S)-2-methyl-6-phenylmethoxyoxan-3-yl]oxyoxan-3-yl]oxyoxan-3-ol.

Molecular Properties

Compound Name(2R,3S,6R)-2-methyl-6-[(2R,3S,6R)-2-methyl-6-[(2R,3S,6S)-2-methyl-6-phenylmethoxyoxan-3-yl]oxyoxan-3-yl]oxyoxan-3-ol
PubChem CID102291667
Molecular FormulaC25H38O7
Molecular Weight450.57 g/mol
Exact Mass450.26
IUPAC Name(2R,3S,6R)-2-methyl-6-[(2R,3S,6R)-2-methyl-6-[(2R,3S,6S)-2-methyl-6-phenylmethoxyoxan-3-yl]oxyoxan-3-yl]oxyoxan-3-ol
SMILESC[C@H]1O[C@H](OCc2ccccc2)CC[C@@H]1O[C@@H]1CC[C@H](O[C@@H]2CC[C@H](O)[C@@H](C)O2)[C@@H](C)O1
InChIInChI=1S/C25H38O7/c1-16-20(26)9-12-24(28-16)31-22-11-14-25(30-18(22)3)32-21-10-13-23(29-17(21)2)27-15-19-7-5-4-6-8-19/h4-8,16-18,20-26H,9-15H2,1-3H3/t16-,17-,18-,20+,21+,22+,23+,24-,25-/m1/s1
InChIKeyDDFCTDOMVGTAGY-RDVJXYLVSA-N
XLogP3.91
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.57
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R,3S,6R)-2-methyl-6-[(2R,3S,6R)-2-methyl-6-[(2R,3S,6S)-2-methyl-6-phenylmethoxyoxan-3-yl]oxyoxan-3-yl]oxyoxan-3-ol with MolForge

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Launch Full Analysis

Related Compounds

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2-methyl-6-phenylmethoxyoxane
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(5S)-6-methyl-4,5-bis(phenylmethoxy)oxan-2-ol
CID 126612131
(2S,3S,5S)-2,6-dimethyl-4-phenylmethoxyoxane-3,5-diol
CID 167585367
(1R,2S,3S)-2-methoxy-3-phenylmethoxycyclopentan-1-ol
CID 139810577
(2R,3S,4S,5R,6R)-2-methyl-3,5,6-tris(phenylmethoxy)oxan-4-ol
CID 11080578
(1S,2R,4S,6R)-2-methyl-4-phenylmethoxy-3,7-dioxabicyclo[4.1.0]heptane
CID 101187707
2-methyl-6-phenylmethoxyoxan-4-ol
CID 162749545
(2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-methoxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-ol
CID 102276288
(2-methylcyclobutyl)oxymethylbenzene
CID 163589446
(2R,3R,4S,5R)-2-(hydroxymethyl)-5-methyl-4-phenylmethoxyoxolan-3-ol
CID 58747870
(2R,3S,4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,3R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-phenylmethoxyoxan-3-yl]oxy-2-methyloxan-4-ol
CID 24897800

Frequently Asked Questions

What is the IUPAC name of (2R,3S,6R)-2-methyl-6-[(2R,3S,6R)-2-methyl-6-[(2R,3S,6S)-2-methyl-6-phenylmethoxyoxan-3-yl]oxyoxan-3-yl]oxyoxan-3-ol?
The IUPAC name of (2R,3S,6R)-2-methyl-6-[(2R,3S,6R)-2-methyl-6-[(2R,3S,6S)-2-methyl-6-phenylmethoxyoxan-3-yl]oxyoxan-3-yl]oxyoxan-3-ol (CID 102291667) is (2R,3S,6R)-2-methyl-6-[(2R,3S,6R)-2-methyl-6-[(2R,3S,6S)-2-methyl-6-phenylmethoxyoxan-3-yl]oxyoxan-3-yl]oxyoxan-3-ol.
What is the SMILES notation for (2R,3S,6R)-2-methyl-6-[(2R,3S,6R)-2-methyl-6-[(2R,3S,6S)-2-methyl-6-phenylmethoxyoxan-3-yl]oxyoxan-3-yl]oxyoxan-3-ol?
The canonical SMILES for (2R,3S,6R)-2-methyl-6-[(2R,3S,6R)-2-methyl-6-[(2R,3S,6S)-2-methyl-6-phenylmethoxyoxan-3-yl]oxyoxan-3-yl]oxyoxan-3-ol is C[C@H]1O[C@H](OCc2ccccc2)CC[C@@H]1O[C@@H]1CC[C@H](O[C@@H]2CC[C@H](O)[C@@H](C)O2)[C@@H](C)O1.
What is the InChIKey of (2R,3S,6R)-2-methyl-6-[(2R,3S,6R)-2-methyl-6-[(2R,3S,6S)-2-methyl-6-phenylmethoxyoxan-3-yl]oxyoxan-3-yl]oxyoxan-3-ol?
The InChIKey is DDFCTDOMVGTAGY-RDVJXYLVSA-N. The full InChI is InChI=1S/C25H38O7/c1-16-20(26)9-12-24(28-16)31-22-11-14-25(30-18(22)3)32-21-10-13-23(29-17(21)2)27-15-19-7-5-4-6-8-19/h4-8,16-18,20-26H,9-15H2,1-3H3/t16-,17-,18-,20+,21+,22+,23+,24-,25-/m1/s1.
What are the key properties of (2R,3S,6R)-2-methyl-6-[(2R,3S,6R)-2-methyl-6-[(2R,3S,6S)-2-methyl-6-phenylmethoxyoxan-3-yl]oxyoxan-3-yl]oxyoxan-3-ol?
(2R,3S,6R)-2-methyl-6-[(2R,3S,6R)-2-methyl-6-[(2R,3S,6S)-2-methyl-6-phenylmethoxyoxan-3-yl]oxyoxan-3-yl]oxyoxan-3-ol has a molecular weight of 450.57 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6R)-2-methyl-6-[(2R,3S,6R)-2-methyl-6-[(2R,3S,6S)-2-methyl-6-phenylmethoxyoxan-3-yl]oxyoxan-3-yl]oxyoxan-3-ol is sourced from PubChem (CID 102291667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).