[(2R,3R,4R,5S,6Z)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethylidene)oxan-2-yl]methanamine

C35H37NO5 — CID 163810203

IUPAC[(2R,3R,4R,5S,6Z)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethylidene)oxan-2-yl]methanamine
SMILESNC[C@H]1O/C(=C\OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C35H37NO5/c36-21-31-33(38-23-28-15-7-2-8-16-28)35(40-25-30-19-11-4-12-20-30)34(39-24-29-17-9-3-10-18-29)32(41-31)26-37-22-27-13-5-1-6-14-27/h1-20,26,31,33-35H,21-25,36H2/b32-26-/t31-,33-,34-,35-/m1/s1
InChIKeyNMOXJPJDJZALNN-SKIKZRLXSA-N
MW551.68 g/mol
LogP6.16
Rot. Bonds13

About [(2R,3R,4R,5S,6Z)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethylidene)oxan-2-yl]methanamine

[(2R,3R,4R,5S,6Z)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethylidene)oxan-2-yl]methanamine (PubChem CID 163810203) has the molecular formula C35H37NO5 and a molecular weight of 551.68 g/mol. Its IUPAC name is [(2R,3R,4R,5S,6Z)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethylidene)oxan-2-yl]methanamine.

Molecular Properties

Compound Name[(2R,3R,4R,5S,6Z)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethylidene)oxan-2-yl]methanamine
PubChem CID163810203
Molecular FormulaC35H37NO5
Molecular Weight551.68 g/mol
Exact Mass551.27
IUPAC Name[(2R,3R,4R,5S,6Z)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethylidene)oxan-2-yl]methanamine
SMILESNC[C@H]1O/C(=C\OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C35H37NO5/c36-21-31-33(38-23-28-15-7-2-8-16-28)35(40-25-30-19-11-4-12-20-30)34(39-24-29-17-9-3-10-18-29)32(41-31)26-37-22-27-13-5-1-6-14-27/h1-20,26,31,33-35H,21-25,36H2/b32-26-/t31-,33-,34-,35-/m1/s1
InChIKeyNMOXJPJDJZALNN-SKIKZRLXSA-N
XLogP6.16
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.68
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4S,5R,6Z)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methylidene]oxane
CID 11115780
trimethyl-[(3Z)-3-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ylidene]prop-1-ynyl]silane
CID 102072085
(4S,5E)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethylidene)oxolan-2-one
CID 163586459
(E,4Z)-4-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ylidene]but-2-enenitrile
CID 11478821
(5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-one
CID 134832144
[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-ylidene]methyl acetate
CID 73106838
(2E)-2-[(3S,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ylidene]acetic acid
CID 90441578
[(E)-[(3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-ylidene]methyl] acetate
CID 10839231
methyl 2-[(2S,3S,4R,5R,6R)-6-(aminomethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]acetate
CID 11145593
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(3S,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-one
CID 164662534

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5S,6Z)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethylidene)oxan-2-yl]methanamine?
The IUPAC name of [(2R,3R,4R,5S,6Z)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethylidene)oxan-2-yl]methanamine (CID 163810203) is [(2R,3R,4R,5S,6Z)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethylidene)oxan-2-yl]methanamine.
What is the SMILES notation for [(2R,3R,4R,5S,6Z)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethylidene)oxan-2-yl]methanamine?
The canonical SMILES for [(2R,3R,4R,5S,6Z)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethylidene)oxan-2-yl]methanamine is NC[C@H]1O/C(=C\OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of [(2R,3R,4R,5S,6Z)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethylidene)oxan-2-yl]methanamine?
The InChIKey is NMOXJPJDJZALNN-SKIKZRLXSA-N. The full InChI is InChI=1S/C35H37NO5/c36-21-31-33(38-23-28-15-7-2-8-16-28)35(40-25-30-19-11-4-12-20-30)34(39-24-29-17-9-3-10-18-29)32(41-31)26-37-22-27-13-5-1-6-14-27/h1-20,26,31,33-35H,21-25,36H2/b32-26-/t31-,33-,34-,35-/m1/s1.
What are the key properties of [(2R,3R,4R,5S,6Z)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethylidene)oxan-2-yl]methanamine?
[(2R,3R,4R,5S,6Z)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethylidene)oxan-2-yl]methanamine has a molecular weight of 551.68 g/mol, XLogP of 6.16, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5S,6Z)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethylidene)oxan-2-yl]methanamine is sourced from PubChem (CID 163810203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).