(2R,3R,4S,5R,6R)-3-amino-4,5-bis(methoxymethoxy)-6-[(1R,2R,3S)-1,2,3-tris(methoxymethoxy)-4-trityloxybutyl]oxan-2-ol

C38H53NO13 — CID 10395169

IUPAC(2R,3R,4S,5R,6R)-3-amino-4,5-bis(methoxymethoxy)-6-[(1R,2R,3S)-1,2,3-tris(methoxymethoxy)-4-trityloxybutyl]oxan-2-ol
SMILESCOCO[C@H]1[C@H]([C@H](OCOC)[C@H](OCOC)[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)OCOC)O[C@@H](O)[C@H](N)[C@@H]1OCOC
InChIInChI=1S/C38H53NO13/c1-41-22-46-30(21-51-38(27-15-9-6-10-16-27,28-17-11-7-12-18-28)29-19-13-8-14-20-29)32(47-23-42-2)34(49-25-44-4)36-35(50-26-45-5)33(48-24-43-3)31(39)37(40)52-36/h6-20,30-37,40H,21-26,39H2,1-5H3/t30-,31+,32+,33-,34+,35+,36-,37+/m0/s1
InChIKeyCJSIYEUNHOFIBX-YUXBANHKSA-N
MW731.84 g/mol
LogP2.99
Rot. Bonds24

About (2R,3R,4S,5R,6R)-3-amino-4,5-bis(methoxymethoxy)-6-[(1R,2R,3S)-1,2,3-tris(methoxymethoxy)-4-trityloxybutyl]oxan-2-ol

(2R,3R,4S,5R,6R)-3-amino-4,5-bis(methoxymethoxy)-6-[(1R,2R,3S)-1,2,3-tris(methoxymethoxy)-4-trityloxybutyl]oxan-2-ol (PubChem CID 10395169) has the molecular formula C38H53NO13 and a molecular weight of 731.84 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-3-amino-4,5-bis(methoxymethoxy)-6-[(1R,2R,3S)-1,2,3-tris(methoxymethoxy)-4-trityloxybutyl]oxan-2-ol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-3-amino-4,5-bis(methoxymethoxy)-6-[(1R,2R,3S)-1,2,3-tris(methoxymethoxy)-4-trityloxybutyl]oxan-2-ol
PubChem CID10395169
Molecular FormulaC38H53NO13
Molecular Weight731.84 g/mol
Exact Mass731.35
IUPAC Name(2R,3R,4S,5R,6R)-3-amino-4,5-bis(methoxymethoxy)-6-[(1R,2R,3S)-1,2,3-tris(methoxymethoxy)-4-trityloxybutyl]oxan-2-ol
SMILESCOCO[C@H]1[C@H]([C@H](OCOC)[C@H](OCOC)[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)OCOC)O[C@@H](O)[C@H](N)[C@@H]1OCOC
InChIInChI=1S/C38H53NO13/c1-41-22-46-30(21-51-38(27-15-9-6-10-16-27,28-17-11-7-12-18-28)29-19-13-8-14-20-29)32(47-23-42-2)34(49-25-44-4)36-35(50-26-45-5)33(48-24-43-3)31(39)37(40)52-36/h6-20,30-37,40H,21-26,39H2,1-5H3/t30-,31+,32+,33-,34+,35+,36-,37+/m0/s1
InChIKeyCJSIYEUNHOFIBX-YUXBANHKSA-N
XLogP2.99
TPSA157.01 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds24
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.84
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze (2R,3R,4S,5R,6R)-3-amino-4,5-bis(methoxymethoxy)-6-[(1R,2R,3S)-1,2,3-tris(methoxymethoxy)-4-trityloxybutyl]oxan-2-ol with MolForge

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Related Compounds

N-[(2S,3R,4S,5R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-4,5-bis(methoxymethoxy)-6-[(1R,2R,3S)-1,2,3-tris(methoxymethoxy)-4-trityloxybutyl]oxan-3-yl]-4-methylbenzenesulfonamide
CID 10373775
[(2S)-2-(methoxymethoxy)-1-phenylsulfanyl-3-trityloxypropoxy]-trimethylsilane
CID 10030671
(2R,3R,5R)-2-methoxy-5-(trityloxymethyl)oxolan-3-ol
CID 178184681
[diphenyl-[(2R,3R,4R,5R)-2,3,4,5-tetrabutoxy-6-trityloxyhexoxy]methyl]benzene
CID 90296827
(2S)-1-(2-methoxyethoxymethoxy)-3-trityloxypropan-2-ol
CID 67869334
(3R,4S,5S,6R)-5-hydroxy-3,4-bis(methoxymethoxy)-6-(trityloxymethyl)piperidin-2-one
CID 10767913
(2S,3S,5S)-3-fluoro-5-(trityloxymethyl)oxolan-2-ol
CID 14859660
3-(trityloxymethyl)cyclobutan-1-ol
CID 14796870
(2R,3R,6S)-6-propan-2-yloxy-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-3-ol
CID 11316368
methyl (2S)-2-hydroxy-3-trityloxypropanoate
CID 11760225
(2R,3S,4R,6S)-6-methoxy-2-(trityloxymethyl)oxane-3,4-diol
CID 11811858
methyl 2-methoxy-3-trityloxypropanoate
CID 14162189

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-3-amino-4,5-bis(methoxymethoxy)-6-[(1R,2R,3S)-1,2,3-tris(methoxymethoxy)-4-trityloxybutyl]oxan-2-ol?
The IUPAC name of (2R,3R,4S,5R,6R)-3-amino-4,5-bis(methoxymethoxy)-6-[(1R,2R,3S)-1,2,3-tris(methoxymethoxy)-4-trityloxybutyl]oxan-2-ol (CID 10395169) is (2R,3R,4S,5R,6R)-3-amino-4,5-bis(methoxymethoxy)-6-[(1R,2R,3S)-1,2,3-tris(methoxymethoxy)-4-trityloxybutyl]oxan-2-ol.
What is the SMILES notation for (2R,3R,4S,5R,6R)-3-amino-4,5-bis(methoxymethoxy)-6-[(1R,2R,3S)-1,2,3-tris(methoxymethoxy)-4-trityloxybutyl]oxan-2-ol?
The canonical SMILES for (2R,3R,4S,5R,6R)-3-amino-4,5-bis(methoxymethoxy)-6-[(1R,2R,3S)-1,2,3-tris(methoxymethoxy)-4-trityloxybutyl]oxan-2-ol is COCO[C@H]1[C@H]([C@H](OCOC)[C@H](OCOC)[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)OCOC)O[C@@H](O)[C@H](N)[C@@H]1OCOC.
What is the InChIKey of (2R,3R,4S,5R,6R)-3-amino-4,5-bis(methoxymethoxy)-6-[(1R,2R,3S)-1,2,3-tris(methoxymethoxy)-4-trityloxybutyl]oxan-2-ol?
The InChIKey is CJSIYEUNHOFIBX-YUXBANHKSA-N. The full InChI is InChI=1S/C38H53NO13/c1-41-22-46-30(21-51-38(27-15-9-6-10-16-27,28-17-11-7-12-18-28)29-19-13-8-14-20-29)32(47-23-42-2)34(49-25-44-4)36-35(50-26-45-5)33(48-24-43-3)31(39)37(40)52-36/h6-20,30-37,40H,21-26,39H2,1-5H3/t30-,31+,32+,33-,34+,35+,36-,37+/m0/s1.
What are the key properties of (2R,3R,4S,5R,6R)-3-amino-4,5-bis(methoxymethoxy)-6-[(1R,2R,3S)-1,2,3-tris(methoxymethoxy)-4-trityloxybutyl]oxan-2-ol?
(2R,3R,4S,5R,6R)-3-amino-4,5-bis(methoxymethoxy)-6-[(1R,2R,3S)-1,2,3-tris(methoxymethoxy)-4-trityloxybutyl]oxan-2-ol has a molecular weight of 731.84 g/mol, XLogP of 2.99, 24 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-3-amino-4,5-bis(methoxymethoxy)-6-[(1R,2R,3S)-1,2,3-tris(methoxymethoxy)-4-trityloxybutyl]oxan-2-ol is sourced from PubChem (CID 10395169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).