(3R,6S)-4-[(2S,5R)-4-methoxy-3,5,6-trimethyloxan-2-yl]oxy-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R)-2,3,5,6-tetramethyloxan-4-yl]oxyoxan-4-yl]oxyoxane

C34H62O8 — CID 134973459

IUPAC(3R,6S)-4-[(2S,5R)-4-methoxy-3,5,6-trimethyloxan-2-yl]oxy-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R)-2,3,5,6-tetramethyloxan-4-yl]oxyoxan-4-yl]oxyoxane
SMILESCOC1C(C)[C@H](OC2C(C)[C@H](OC3C(C)[C@H](OC4C(C)C(C)OC(C)[C@H]4C)OC(C)[C@H]3C)OC(C)[C@H]2C)OC(C)[C@H]1C
InChIInChI=1S/C34H62O8/c1-15-25(11)37-32(20(6)28(15)35-14)41-30-18(4)27(13)39-34(22(30)8)42-31-19(5)26(12)38-33(21(31)7)40-29-16(2)23(9)36-24(10)17(29)3/h15-34H,1-14H3/t15-,16-,17?,18-,19-,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32+,33+,34+/m1/s1
InChIKeyMFCJGYUODWIATC-CTNXORGKSA-N
MW598.86 g/mol
LogP6.29
Rot. Bonds7

About (3R,6S)-4-[(2S,5R)-4-methoxy-3,5,6-trimethyloxan-2-yl]oxy-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R)-2,3,5,6-tetramethyloxan-4-yl]oxyoxan-4-yl]oxyoxane

(3R,6S)-4-[(2S,5R)-4-methoxy-3,5,6-trimethyloxan-2-yl]oxy-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R)-2,3,5,6-tetramethyloxan-4-yl]oxyoxan-4-yl]oxyoxane (PubChem CID 134973459) has the molecular formula C34H62O8 and a molecular weight of 598.86 g/mol. Its IUPAC name is (3R,6S)-4-[(2S,5R)-4-methoxy-3,5,6-trimethyloxan-2-yl]oxy-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R)-2,3,5,6-tetramethyloxan-4-yl]oxyoxan-4-yl]oxyoxane.

Molecular Properties

Compound Name(3R,6S)-4-[(2S,5R)-4-methoxy-3,5,6-trimethyloxan-2-yl]oxy-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R)-2,3,5,6-tetramethyloxan-4-yl]oxyoxan-4-yl]oxyoxane
PubChem CID134973459
Molecular FormulaC34H62O8
Molecular Weight598.86 g/mol
Exact Mass598.44
IUPAC Name(3R,6S)-4-[(2S,5R)-4-methoxy-3,5,6-trimethyloxan-2-yl]oxy-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R)-2,3,5,6-tetramethyloxan-4-yl]oxyoxan-4-yl]oxyoxane
SMILESCOC1C(C)[C@H](OC2C(C)[C@H](OC3C(C)[C@H](OC4C(C)C(C)OC(C)[C@H]4C)OC(C)[C@H]3C)OC(C)[C@H]2C)OC(C)[C@H]1C
InChIInChI=1S/C34H62O8/c1-15-25(11)37-32(20(6)28(15)35-14)41-30-18(4)27(13)39-34(22(30)8)42-31-19(5)26(12)38-33(21(31)7)40-29-16(2)23(9)36-24(10)17(29)3/h15-34H,1-14H3/t15-,16-,17?,18-,19-,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32+,33+,34+/m1/s1
InChIKeyMFCJGYUODWIATC-CTNXORGKSA-N
XLogP6.29
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.86
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (3R,6S)-4-[(2S,5R)-4-methoxy-3,5,6-trimethyloxan-2-yl]oxy-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R)-2,3,5,6-tetramethyloxan-4-yl]oxyoxan-4-yl]oxyoxane with MolForge

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Launch Full Analysis

Related Compounds

(3S,6R)-3-[(2S,5R)-4-methoxy-3,5,6-trimethyloxan-2-yl]oxy-2,5-dimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3S)-2,4,5,6-tetramethyloxan-3-yl]oxyoxan-4-yl]oxyoxan-4-ol
CID 134973460
(3S,6S)-2,3,4,5-tetramethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6R)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5,6-tetramethyloxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxane
CID 134973462
(3S,6S)-2,3,4,5-tetramethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(2S,5R)-2,3,5,6-tetramethyloxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxane
CID 134973515
(3S,6S)-2,3,4,5-tetramethyl-6-[(2S,5R)-2,3,5,6-tetramethyloxan-4-yl]oxyoxane
CID 134973826
(2R,3S,6S)-2,3,4,5-tetramethyl-6-[(2S,5R)-2,5,6-trimethyl-4-[(2S,5R)-3,5,6-trimethyl-4-[(2S,5S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-3-yl]oxyoxane
CID 134973879
(3S,6S)-2,3,4,5-tetramethyl-6-[(3S,6R)-2,4,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3S,6S)-2,4,5,6-tetramethyloxan-3-yl]oxyoxan-4-yl]oxyoxan-3-yl]oxyoxane
CID 134973882
(1S,6R,8S,17S,22S,39S,40R)-39,40-bis(methoxymethoxy)-8-(methoxymethoxymethyl)-7,16,23,32-tetraoxapentacyclo[28.2.2.26,9.214,17.222,25]tetraconta-2,4,10,12,18,20,26,28-octayne
CID 134976948
2-[2-Ethyl-3-(oxan-2-yloxy)hexoxy]oxane
CID 135046002
2-Methoxy-3,5,6-trimethyl-4-(3,4,5,6-tetramethyloxan-2-yl)oxyoxane
CID 20577427
2-Methoxy-3,5,6-trimethyl-4-[3,4,6-trimethyl-5-[3,4,6-trimethyl-5-(3,4,5,6-tetramethyloxan-2-yl)oxyoxan-2-yl]oxyoxan-2-yl]oxyoxane
CID 20577430
2-Ethyl-6-[[6-[[6-[[6-[[6-[(6-methoxy-2,4,5-trimethyloxan-3-yl)methoxymethyl]-2,4,5-trimethyloxan-3-yl]methoxymethyl]-3,4,5-trimethyloxan-2-yl]methoxy]-2,4,5-trimethyloxan-3-yl]methoxymethyl]-2,4,5-trimethyloxan-3-yl]methoxymethyl]-3,4,5-trimethyloxane
CID 20632116
5,10,15,20,25,30,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49-Henicosamethyl-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane
CID 20767618

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-4-[(2S,5R)-4-methoxy-3,5,6-trimethyloxan-2-yl]oxy-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R)-2,3,5,6-tetramethyloxan-4-yl]oxyoxan-4-yl]oxyoxane?
The IUPAC name of (3R,6S)-4-[(2S,5R)-4-methoxy-3,5,6-trimethyloxan-2-yl]oxy-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R)-2,3,5,6-tetramethyloxan-4-yl]oxyoxan-4-yl]oxyoxane (CID 134973459) is (3R,6S)-4-[(2S,5R)-4-methoxy-3,5,6-trimethyloxan-2-yl]oxy-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R)-2,3,5,6-tetramethyloxan-4-yl]oxyoxan-4-yl]oxyoxane.
What is the SMILES notation for (3R,6S)-4-[(2S,5R)-4-methoxy-3,5,6-trimethyloxan-2-yl]oxy-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R)-2,3,5,6-tetramethyloxan-4-yl]oxyoxan-4-yl]oxyoxane?
The canonical SMILES for (3R,6S)-4-[(2S,5R)-4-methoxy-3,5,6-trimethyloxan-2-yl]oxy-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R)-2,3,5,6-tetramethyloxan-4-yl]oxyoxan-4-yl]oxyoxane is COC1C(C)[C@H](OC2C(C)[C@H](OC3C(C)[C@H](OC4C(C)C(C)OC(C)[C@H]4C)OC(C)[C@H]3C)OC(C)[C@H]2C)OC(C)[C@H]1C.
What is the InChIKey of (3R,6S)-4-[(2S,5R)-4-methoxy-3,5,6-trimethyloxan-2-yl]oxy-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R)-2,3,5,6-tetramethyloxan-4-yl]oxyoxan-4-yl]oxyoxane?
The InChIKey is MFCJGYUODWIATC-CTNXORGKSA-N. The full InChI is InChI=1S/C34H62O8/c1-15-25(11)37-32(20(6)28(15)35-14)41-30-18(4)27(13)39-34(22(30)8)42-31-19(5)26(12)38-33(21(31)7)40-29-16(2)23(9)36-24(10)17(29)3/h15-34H,1-14H3/t15-,16-,17?,18-,19-,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32+,33+,34+/m1/s1.
What are the key properties of (3R,6S)-4-[(2S,5R)-4-methoxy-3,5,6-trimethyloxan-2-yl]oxy-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R)-2,3,5,6-tetramethyloxan-4-yl]oxyoxan-4-yl]oxyoxane?
(3R,6S)-4-[(2S,5R)-4-methoxy-3,5,6-trimethyloxan-2-yl]oxy-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R)-2,3,5,6-tetramethyloxan-4-yl]oxyoxan-4-yl]oxyoxane has a molecular weight of 598.86 g/mol, XLogP of 6.29, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-4-[(2S,5R)-4-methoxy-3,5,6-trimethyloxan-2-yl]oxy-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R)-2,3,5,6-tetramethyloxan-4-yl]oxyoxan-4-yl]oxyoxane is sourced from PubChem (CID 134973459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).