(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

C34H62O7 — CID 134973515

IUPAC(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
SMILESCC1C(C)[C@H](C)C(C)O[C@H]1OC1C(C)[C@H](OC2C(C)[C@H](OC3C(C)[C@H](C)OC(C)[C@H]3C)OC(C)[C@H]2C)OC(C)[C@H]1C
InChIInChI=1S/C34H62O7/c1-15-16(2)24(10)36-32(17(15)3)40-30-20(6)27(13)38-34(22(30)8)41-31-21(7)28(14)37-33(23(31)9)39-29-18(4)25(11)35-26(12)19(29)5/h15-34H,1-14H3/t15?,16-,17?,18+,19?,20+,21+,22?,23?,24?,25?,26-,27?,28?,29?,30?,31?,32-,33-,34-/m0/s1
InChIKeyONWXJFNIKBACSB-LFNFKMFKSA-N
MW582.86 g/mol
LogP6.91
Rot. Bonds6

About (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

(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 (PubChem CID 134973515) has the molecular formula C34H62O7 and a molecular weight of 582.86 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID134973515
Molecular FormulaC34H62O7
Molecular Weight582.86 g/mol
Exact Mass582.45
IUPAC Name(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
SMILESCC1C(C)[C@H](C)C(C)O[C@H]1OC1C(C)[C@H](OC2C(C)[C@H](OC3C(C)[C@H](C)OC(C)[C@H]3C)OC(C)[C@H]2C)OC(C)[C@H]1C
InChIInChI=1S/C34H62O7/c1-15-16(2)24(10)36-32(17(15)3)40-30-20(6)27(13)38-34(22(30)8)41-31-21(7)28(14)37-33(23(31)9)39-29-18(4)25(11)35-26(12)19(29)5/h15-34H,1-14H3/t15?,16-,17?,18+,19?,20+,21+,22?,23?,24?,25?,26-,27?,28?,29?,30?,31?,32-,33-,34-/m0/s1
InChIKeyONWXJFNIKBACSB-LFNFKMFKSA-N
XLogP6.91
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.86
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC1C(C)[C@H](C)C(C)O[C@H]1OC1C(C)[C@H](OC2C(C)[C@H](OC3C(C)[C@H](C)OC(C)[C@H]3C)OC(C)[C@H]2C)OC(C)[C@H]1C.
What is the InChIKey of (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?
The InChIKey is ONWXJFNIKBACSB-LFNFKMFKSA-N. The full InChI is InChI=1S/C34H62O7/c1-15-16(2)24(10)36-32(17(15)3)40-30-20(6)27(13)38-34(22(30)8)41-31-21(7)28(14)37-33(23(31)9)39-29-18(4)25(11)35-26(12)19(29)5/h15-34H,1-14H3/t15?,16-,17?,18+,19?,20+,21+,22?,23?,24?,25?,26-,27?,28?,29?,30?,31?,32-,33-,34-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 582.86 g/mol, XLogP of 6.91, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 134973515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).