morpholin-4-yl-[4-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]methanone

C23H27NO8 — CID 70895873

IUPACmorpholin-4-yl-[4-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]methanone
SMILESO=C(c1ccc(-c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)cc1)N1CCOCC1
InChIInChI=1S/C23H27NO8/c25-13-18-19(26)20(27)21(28)23(32-18)31-17-7-5-15(6-8-17)14-1-3-16(4-2-14)22(29)24-9-11-30-12-10-24/h1-8,18-21,23,25-28H,9-13H2/t18-,19-,20+,21+,23+/m1/s1
InChIKeyKXOHNGPGIAFVME-RBRWEJTLSA-N
MW445.47 g/mol
LogP0.00
Rot. Bonds5

About morpholin-4-yl-[4-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]methanone

morpholin-4-yl-[4-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]methanone (PubChem CID 70895873) has the molecular formula C23H27NO8 and a molecular weight of 445.47 g/mol. Its IUPAC name is morpholin-4-yl-[4-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]methanone
PubChem CID70895873
Molecular FormulaC23H27NO8
Molecular Weight445.47 g/mol
Exact Mass445.17
IUPAC Namemorpholin-4-yl-[4-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]methanone
SMILESO=C(c1ccc(-c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)cc1)N1CCOCC1
InChIInChI=1S/C23H27NO8/c25-13-18-19(26)20(27)21(28)23(32-18)31-17-7-5-15(6-8-17)14-1-3-16(4-2-14)22(29)24-9-11-30-12-10-24/h1-8,18-21,23,25-28H,9-13H2/t18-,19-,20+,21+,23+/m1/s1
InChIKeyKXOHNGPGIAFVME-RBRWEJTLSA-N
XLogP0.00
TPSA128.92 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.47
LogP ≤ 50.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

5-[4-[(2~{r},3~{s},4~{s},5~{s},6~{r})-6-(Hydroxymethyl)-3,4,5-Tris(Oxidanyl)oxan-2-Yl]oxy-3-Methyl-Phenyl]-~{n}1,~{n}3-Dimethyl-Benzene-1,3-Dicarboxamide
CID 57413592
3-[4-[(2~{r},3~{s},4~{s},5~{s},6~{r})-6-(Hydroxymethyl)-3,4,5-Tris(Oxidanyl)oxan-2-Yl]oxy-3-Methyl-Phenyl]-~{n}-Methyl-Benzamide
CID 57413864
N-Benzyl-3-(alpha-D-galactopyranosyloxy)benzamide
CID 445579
N-methyl-3-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzamide
CID 46838220
1-N,3-N-dimethyl-5-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzene-1,3-dicarboxamide
CID 46838771
3-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzamide
CID 46838627
3-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-N-[2-[2-[2-[[3-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzoyl]amino]ethoxy]ethoxy]ethyl]benzamide
CID 46837520
3-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-N-[2-[2-[[3-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzoyl]amino]ethoxy]ethyl]benzamide
CID 46837658
N-methyl-3-[3-(trifluoromethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzamide
CID 57413865
N-(2-hydroxyethyl)-3-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzamide
CID 57413868
7-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2H-isoquinolin-1-one
CID 57414264
4-[3-[(2R,3S,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxan-2-yl]oxy-4-methylphenyl]-N-methylbenzamide
CID 73438571

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]methanone?
The IUPAC name of morpholin-4-yl-[4-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]methanone (CID 70895873) is morpholin-4-yl-[4-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]methanone?
The canonical SMILES for morpholin-4-yl-[4-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]methanone is O=C(c1ccc(-c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)cc1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[4-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]methanone?
The InChIKey is KXOHNGPGIAFVME-RBRWEJTLSA-N. The full InChI is InChI=1S/C23H27NO8/c25-13-18-19(26)20(27)21(28)23(32-18)31-17-7-5-15(6-8-17)14-1-3-16(4-2-14)22(29)24-9-11-30-12-10-24/h1-8,18-21,23,25-28H,9-13H2/t18-,19-,20+,21+,23+/m1/s1.
What are the key properties of morpholin-4-yl-[4-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]methanone?
morpholin-4-yl-[4-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]methanone has a molecular weight of 445.47 g/mol, XLogP of 0.00, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]methanone is sourced from PubChem (CID 70895873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).