2-[2-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[6-(hydroxymethyl)-4-(2-morpholin-4-ylethyl)morpholin-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

C32H58N2O18 — CID 90337481

IUPAC2-[2-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[6-(hydroxymethyl)-4-(2-morpholin-4-ylethyl)morpholin-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCC(C)C1OC(COC2OC(CO)C(O)C(OC3CN(CCN4CCOCC4)CC(CO)O3)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O
InChIInChI=1S/C32H58N2O18/c1-15(2)28-26(43)29(52-32-25(42)24(41)21(38)17(12-36)50-32)23(40)19(48-28)14-46-31-27(44)30(22(39)18(13-37)49-31)51-20-10-34(9-16(11-35)47-20)4-3-33-5-7-45-8-6-33/h15-32,35-44H,3-14H2,1-2H3
InChIKeyMZMAOHOJDWFRGR-UHFFFAOYSA-N
MW758.81 g/mol
LogP-6.49
Rot. Bonds14

About 2-[2-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[6-(hydroxymethyl)-4-(2-morpholin-4-ylethyl)morpholin-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

2-[2-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[6-(hydroxymethyl)-4-(2-morpholin-4-ylethyl)morpholin-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 90337481) has the molecular formula C32H58N2O18 and a molecular weight of 758.81 g/mol. Its IUPAC name is 2-[2-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[6-(hydroxymethyl)-4-(2-morpholin-4-ylethyl)morpholin-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name2-[2-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[6-(hydroxymethyl)-4-(2-morpholin-4-ylethyl)morpholin-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID90337481
Molecular FormulaC32H58N2O18
Molecular Weight758.81 g/mol
Exact Mass758.37
IUPAC Name2-[2-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[6-(hydroxymethyl)-4-(2-morpholin-4-ylethyl)morpholin-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCC(C)C1OC(COC2OC(CO)C(O)C(OC3CN(CCN4CCOCC4)CC(CO)O3)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O
InChIInChI=1S/C32H58N2O18/c1-15(2)28-26(43)29(52-32-25(42)24(41)21(38)17(12-36)50-32)23(40)19(48-28)14-46-31-27(44)30(22(39)18(13-37)49-31)51-20-10-34(9-16(11-35)47-20)4-3-33-5-7-45-8-6-33/h15-32,35-44H,3-14H2,1-2H3
InChIKeyMZMAOHOJDWFRGR-UHFFFAOYSA-N
XLogP-6.49
TPSA282.62 Ų
H-Bond Donors10
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500758.81
LogP ≤ 5-6.49
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1020

Analyze 2-[2-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[6-(hydroxymethyl)-4-(2-morpholin-4-ylethyl)morpholin-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol with MolForge

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Related Compounds

(1R,2S,4S,6R,7R,8S,9S,10R,11S,13R,14R)-13-ethyl-9-[(2R,5S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-[(2S)-3-hydroxy-6-methyl-4-morpholin-4-yloxan-2-yl]oxy-2,4,6,8,10,14-hexamethyl-12,15,16-trioxatricyclo[9.3.1.13,6]hexadecane-11,14-diol
CID 60086137
2-[2-[[3,5-Dihydroxy-4-[4-(2-hydroxyethyl)-6-(hydroxymethyl)morpholin-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 90337470
2-[2-[[3,5-Dihydroxy-4-[4-[2-(2-hydroxyethoxy)ethyl]-6-(hydroxymethyl)morpholin-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 90337482
2-[2-[[4-[4-(3-Aminopropyl)-6-(hydroxymethyl)morpholin-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 90337490
2-[3,5-Dihydroxy-2-[[6-(hydroxymethyl)-4-pentylmorpholin-2-yl]oxymethyl]-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 90337497
2-[2-[[6-[3-[2-[2-[[3,5-Dihydroxy-6-propan-2-yl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)morpholin-4-yl]propoxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 90337518
2-[2-[[4-[4-[3-[2-[[3,5-Dihydroxy-6-propan-2-yl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3-hydroxy-6-(hydroxymethyl)morpholin-4-yl]propyl]-6-(hydroxymethyl)morpholin-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 90337521
2-[2-[[6-[3-[2-[2-[[3,5-Dihydroxy-6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)morpholin-4-yl]propoxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 90338972
2-[2-[[3,5-Dihydroxy-6-(hydroxymethyl)-4-[6-(hydroxymethyl)-4-(2-morpholin-4-ylethyl)morpholin-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 90339019
2-[2-[[4-[4-[3-[2-[[3,5-Dihydroxy-6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3-hydroxy-6-(hydroxymethyl)morpholin-4-yl]propyl]-6-(hydroxymethyl)morpholin-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 90339048
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-[[(4R,5S)-6-[[(4R,5S)-6-[[(4S,5S)-6-[[(4R,5S)-2-(hydroperoxymethyl)-4,5-dihydroxy-6-[[(4R,5S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]oxan-3-yl]methoxymethyl]-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]-4,5-dihydroxy-3-[[(3S,4R)-3,4,5-trihydroxy-6-methyloxan-2-yl]methoxymethyl]oxan-2-yl]methoxy]-2-oxoethyl]amino]ethyl]amino]acetic acid
CID 118213884
(1R,2S,4S,7R,8S,9S,10R,11S,13R,14R)-13-ethyl-9-[(2R,5S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-[(2S)-3-hydroxy-6-methyl-4-morpholin-4-yloxan-2-yl]oxy-2,4,6,8,10,14-hexamethyl-12,15,16-trioxatricyclo[9.3.1.13,6]hexadecane-11,14-diol
CID 145781872

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[6-(hydroxymethyl)-4-(2-morpholin-4-ylethyl)morpholin-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of 2-[2-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[6-(hydroxymethyl)-4-(2-morpholin-4-ylethyl)morpholin-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CID 90337481) is 2-[2-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[6-(hydroxymethyl)-4-(2-morpholin-4-ylethyl)morpholin-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for 2-[2-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[6-(hydroxymethyl)-4-(2-morpholin-4-ylethyl)morpholin-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for 2-[2-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[6-(hydroxymethyl)-4-(2-morpholin-4-ylethyl)morpholin-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is CC(C)C1OC(COC2OC(CO)C(O)C(OC3CN(CCN4CCOCC4)CC(CO)O3)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O.
What is the InChIKey of 2-[2-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[6-(hydroxymethyl)-4-(2-morpholin-4-ylethyl)morpholin-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is MZMAOHOJDWFRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H58N2O18/c1-15(2)28-26(43)29(52-32-25(42)24(41)21(38)17(12-36)50-32)23(40)19(48-28)14-46-31-27(44)30(22(39)18(13-37)49-31)51-20-10-34(9-16(11-35)47-20)4-3-33-5-7-45-8-6-33/h15-32,35-44H,3-14H2,1-2H3.
What are the key properties of 2-[2-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[6-(hydroxymethyl)-4-(2-morpholin-4-ylethyl)morpholin-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?
2-[2-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[6-(hydroxymethyl)-4-(2-morpholin-4-ylethyl)morpholin-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 758.81 g/mol, XLogP of -6.49, 14 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[6-(hydroxymethyl)-4-(2-morpholin-4-ylethyl)morpholin-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 90337481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).