(2S,3R,4S,5R,6R)-2,3,4,5-tetrakis(2-methylpropoxy)-6-[[(2S,3R,4S,5R,6R)-3,4,5-tris(2-methylpropoxy)-6-[2-[(2S,3R,4S,5R,6R)-3,4,5-tris(2-methylpropoxy)-6-(2-methylpropoxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxymethyl]oxane

C63H122O16 — CID 155602462

IUPAC(2S,3R,4S,5R,6R)-2,3,4,5-tetrakis(2-methylpropoxy)-6-[[(2S,3R,4S,5R,6R)-3,4,5-tris(2-methylpropoxy)-6-[2-[(2S,3R,4S,5R,6R)-3,4,5-tris(2-methylpropoxy)-6-(2-methylpropoxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxymethyl]oxane
SMILESCC(C)COC[C@H]1O[C@H](OCC[C@H]2O[C@H](OC[C@H]3O[C@H](OCC(C)C)[C@H](OCC(C)C)[C@@H](OCC(C)C)[C@@H]3OCC(C)C)[C@H](OCC(C)C)[C@@H](OCC(C)C)[C@@H]2OCC(C)C)[C@H](OCC(C)C)[C@@H](OCC(C)C)[C@@H]1OCC(C)C
InChIInChI=1S/C63H122O16/c1-38(2)25-64-36-50-53(67-27-40(5)6)56(70-30-43(11)12)58(72-32-45(15)16)61(78-50)65-24-23-49-52(66-26-39(3)4)55(69-29-42(9)10)59(73-33-46(17)18)63(77-49)76-37-51-54(68-28-41(7)8)57(71-31-44(13)14)60(74-34-47(19)20)62(79-51)75-35-48(21)22/h38-63H,23-37H2,1-22H3/t49-,50-,51-,52-,53-,54-,55+,56+,57+,58-,59-,60-,61+,62+,63+/m1/s1
InChIKeyULBHFAFWQPRLQG-NJAOEYROSA-N
MW1135.65 g/mol
LogP11.30
Rot. Bonds41

About (2S,3R,4S,5R,6R)-2,3,4,5-tetrakis(2-methylpropoxy)-6-[[(2S,3R,4S,5R,6R)-3,4,5-tris(2-methylpropoxy)-6-[2-[(2S,3R,4S,5R,6R)-3,4,5-tris(2-methylpropoxy)-6-(2-methylpropoxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxymethyl]oxane

(2S,3R,4S,5R,6R)-2,3,4,5-tetrakis(2-methylpropoxy)-6-[[(2S,3R,4S,5R,6R)-3,4,5-tris(2-methylpropoxy)-6-[2-[(2S,3R,4S,5R,6R)-3,4,5-tris(2-methylpropoxy)-6-(2-methylpropoxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxymethyl]oxane (PubChem CID 155602462) has the molecular formula C63H122O16 and a molecular weight of 1135.65 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R)-2,3,4,5-tetrakis(2-methylpropoxy)-6-[[(2S,3R,4S,5R,6R)-3,4,5-tris(2-methylpropoxy)-6-[2-[(2S,3R,4S,5R,6R)-3,4,5-tris(2-methylpropoxy)-6-(2-methylpropoxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxymethyl]oxane.

Molecular Properties

Compound Name(2S,3R,4S,5R,6R)-2,3,4,5-tetrakis(2-methylpropoxy)-6-[[(2S,3R,4S,5R,6R)-3,4,5-tris(2-methylpropoxy)-6-[2-[(2S,3R,4S,5R,6R)-3,4,5-tris(2-methylpropoxy)-6-(2-methylpropoxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxymethyl]oxane
PubChem CID155602462
Molecular FormulaC63H122O16
Molecular Weight1135.65 g/mol
Exact Mass1134.87
IUPAC Name(2S,3R,4S,5R,6R)-2,3,4,5-tetrakis(2-methylpropoxy)-6-[[(2S,3R,4S,5R,6R)-3,4,5-tris(2-methylpropoxy)-6-[2-[(2S,3R,4S,5R,6R)-3,4,5-tris(2-methylpropoxy)-6-(2-methylpropoxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxymethyl]oxane
SMILESCC(C)COC[C@H]1O[C@H](OCC[C@H]2O[C@H](OC[C@H]3O[C@H](OCC(C)C)[C@H](OCC(C)C)[C@@H](OCC(C)C)[C@@H]3OCC(C)C)[C@H](OCC(C)C)[C@@H](OCC(C)C)[C@@H]2OCC(C)C)[C@H](OCC(C)C)[C@@H](OCC(C)C)[C@@H]1OCC(C)C
InChIInChI=1S/C63H122O16/c1-38(2)25-64-36-50-53(67-27-40(5)6)56(70-30-43(11)12)58(72-32-45(15)16)61(78-50)65-24-23-49-52(66-26-39(3)4)55(69-29-42(9)10)59(73-33-46(17)18)63(77-49)76-37-51-54(68-28-41(7)8)57(71-31-44(13)14)60(74-34-47(19)20)62(79-51)75-35-48(21)22/h38-63H,23-37H2,1-22H3/t49-,50-,51-,52-,53-,54-,55+,56+,57+,58-,59-,60-,61+,62+,63+/m1/s1
InChIKeyULBHFAFWQPRLQG-NJAOEYROSA-N
XLogP11.30
TPSA147.68 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds41
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001135.65
LogP ≤ 511.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze (2S,3R,4S,5R,6R)-2,3,4,5-tetrakis(2-methylpropoxy)-6-[[(2S,3R,4S,5R,6R)-3,4,5-tris(2-methylpropoxy)-6-[2-[(2S,3R,4S,5R,6R)-3,4,5-tris(2-methylpropoxy)-6-(2-methylpropoxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxymethyl]oxane with MolForge

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Related Compounds

3-[(2R,3S,4S,5R,6R)-3-[(2S)-2-hydroxypropoxy]-4,5-dimethoxy-6-(2-methylpropoxymethyl)oxan-2-yl]oxypropanoic acid
CID 10949264
(2S)-1-[[(2R,3R,4S,5R,6R)-4,6-bis[(2S)-2-hydroxypropoxy]-3-[(2R,3R,4S,5R,6R)-3-[(2S)-2-hydroxypropoxy]-4,5-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-5-methoxyoxan-2-yl]methoxy]propan-2-ol
CID 124748211
2-[[(2R,3S,4S,5R,6S)-3,4,5,6-tetrakis(2-hydroxyethoxy)oxan-2-yl]methoxy]ethanol
CID 126968510
2-[[3,4,5-tris(2-hydroxyethoxy)-6-methoxyoxan-2-yl]methoxy]ethanol
CID 19991269
(2R,3S,4S,5R,6R)-2-(2,2-dimethoxyethoxy)-4,5-dimethoxy-6-(2-methylpropoxymethyl)-3-phenylmethoxyoxane
CID 102018264
[2-hydroxy-3-[[(2R,3S,4S,5R,6S)-3,4,5-tris(3-but-2-enoyloxy-2-hydroxypropoxy)-6-[(2R,3R,4S,5R)-4,5,6-tris(3-but-2-enoyloxy-2-hydroxypropoxy)-2-[(3-but-2-enoyloxy-2-hydroxypropoxy)methyl]oxan-3-yl]oxyoxan-2-yl]methoxy]propyl] but-2-enoate
CID 141469568
3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[2-[(5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethoxy]oxane
CID 134389486
(2S,3S,4S,5R,6R)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-[[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxane
CID 101466652
(2S,3R,4S,5R,6R)-2-[[(2R,3R,4R,5R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 100914116
(2R,3S,4R,5R)-2-(2-methylpropoxymethyl)-6-propan-2-yloxane-3,4,5-triol
CID 118014534
(2S,3R,4S,5S,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxane
CID 14018148
(2R,3R,4S,5R,6R)-2-(2-azidoethoxy)-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane
CID 132604145

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6R)-2,3,4,5-tetrakis(2-methylpropoxy)-6-[[(2S,3R,4S,5R,6R)-3,4,5-tris(2-methylpropoxy)-6-[2-[(2S,3R,4S,5R,6R)-3,4,5-tris(2-methylpropoxy)-6-(2-methylpropoxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxymethyl]oxane?
The IUPAC name of (2S,3R,4S,5R,6R)-2,3,4,5-tetrakis(2-methylpropoxy)-6-[[(2S,3R,4S,5R,6R)-3,4,5-tris(2-methylpropoxy)-6-[2-[(2S,3R,4S,5R,6R)-3,4,5-tris(2-methylpropoxy)-6-(2-methylpropoxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxymethyl]oxane (CID 155602462) is (2S,3R,4S,5R,6R)-2,3,4,5-tetrakis(2-methylpropoxy)-6-[[(2S,3R,4S,5R,6R)-3,4,5-tris(2-methylpropoxy)-6-[2-[(2S,3R,4S,5R,6R)-3,4,5-tris(2-methylpropoxy)-6-(2-methylpropoxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxymethyl]oxane.
What is the SMILES notation for (2S,3R,4S,5R,6R)-2,3,4,5-tetrakis(2-methylpropoxy)-6-[[(2S,3R,4S,5R,6R)-3,4,5-tris(2-methylpropoxy)-6-[2-[(2S,3R,4S,5R,6R)-3,4,5-tris(2-methylpropoxy)-6-(2-methylpropoxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxymethyl]oxane?
The canonical SMILES for (2S,3R,4S,5R,6R)-2,3,4,5-tetrakis(2-methylpropoxy)-6-[[(2S,3R,4S,5R,6R)-3,4,5-tris(2-methylpropoxy)-6-[2-[(2S,3R,4S,5R,6R)-3,4,5-tris(2-methylpropoxy)-6-(2-methylpropoxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxymethyl]oxane is CC(C)COC[C@H]1O[C@H](OCC[C@H]2O[C@H](OC[C@H]3O[C@H](OCC(C)C)[C@H](OCC(C)C)[C@@H](OCC(C)C)[C@@H]3OCC(C)C)[C@H](OCC(C)C)[C@@H](OCC(C)C)[C@@H]2OCC(C)C)[C@H](OCC(C)C)[C@@H](OCC(C)C)[C@@H]1OCC(C)C.
What is the InChIKey of (2S,3R,4S,5R,6R)-2,3,4,5-tetrakis(2-methylpropoxy)-6-[[(2S,3R,4S,5R,6R)-3,4,5-tris(2-methylpropoxy)-6-[2-[(2S,3R,4S,5R,6R)-3,4,5-tris(2-methylpropoxy)-6-(2-methylpropoxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxymethyl]oxane?
The InChIKey is ULBHFAFWQPRLQG-NJAOEYROSA-N. The full InChI is InChI=1S/C63H122O16/c1-38(2)25-64-36-50-53(67-27-40(5)6)56(70-30-43(11)12)58(72-32-45(15)16)61(78-50)65-24-23-49-52(66-26-39(3)4)55(69-29-42(9)10)59(73-33-46(17)18)63(77-49)76-37-51-54(68-28-41(7)8)57(71-31-44(13)14)60(74-34-47(19)20)62(79-51)75-35-48(21)22/h38-63H,23-37H2,1-22H3/t49-,50-,51-,52-,53-,54-,55+,56+,57+,58-,59-,60-,61+,62+,63+/m1/s1.
What are the key properties of (2S,3R,4S,5R,6R)-2,3,4,5-tetrakis(2-methylpropoxy)-6-[[(2S,3R,4S,5R,6R)-3,4,5-tris(2-methylpropoxy)-6-[2-[(2S,3R,4S,5R,6R)-3,4,5-tris(2-methylpropoxy)-6-(2-methylpropoxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxymethyl]oxane?
(2S,3R,4S,5R,6R)-2,3,4,5-tetrakis(2-methylpropoxy)-6-[[(2S,3R,4S,5R,6R)-3,4,5-tris(2-methylpropoxy)-6-[2-[(2S,3R,4S,5R,6R)-3,4,5-tris(2-methylpropoxy)-6-(2-methylpropoxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxymethyl]oxane has a molecular weight of 1135.65 g/mol, XLogP of 11.30, 41 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R,6R)-2,3,4,5-tetrakis(2-methylpropoxy)-6-[[(2S,3R,4S,5R,6R)-3,4,5-tris(2-methylpropoxy)-6-[2-[(2S,3R,4S,5R,6R)-3,4,5-tris(2-methylpropoxy)-6-(2-methylpropoxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxymethyl]oxane is sourced from PubChem (CID 155602462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).