(1S,2S,3S,4R,5R)-5-amino-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol

C27H31NO4 — CID 15460032

IUPAC(1S,2S,3S,4R,5R)-5-amino-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol
SMILESNC1C[C@H](O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C27H31NO4/c28-23-16-24(29)26(31-18-21-12-6-2-7-13-21)27(32-19-22-14-8-3-9-15-22)25(23)30-17-20-10-4-1-5-11-20/h1-15,23-27,29H,16-19,28H2/t23?,24-,25+,26-,27-/m0/s1
InChIKeyWNTJQJDTOCYUBQ-VTLMFNHFSA-N
MW433.55 g/mol
LogP3.83
Rot. Bonds9

About (1S,2S,3S,4R,5R)-5-amino-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol

(1S,2S,3S,4R,5R)-5-amino-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol (PubChem CID 15460032) has the molecular formula C27H31NO4 and a molecular weight of 433.55 g/mol. Its IUPAC name is (1S,2S,3S,4R,5R)-5-amino-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2S,3S,4R,5R)-5-amino-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol
PubChem CID15460032
Molecular FormulaC27H31NO4
Molecular Weight433.55 g/mol
Exact Mass433.23
IUPAC Name(1S,2S,3S,4R,5R)-5-amino-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol
SMILESNC1C[C@H](O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C27H31NO4/c28-23-16-24(29)26(31-18-21-12-6-2-7-13-21)27(32-19-22-14-8-3-9-15-22)25(23)30-17-20-10-4-1-5-11-20/h1-15,23-27,29H,16-19,28H2/t23?,24-,25+,26-,27-/m0/s1
InChIKeyWNTJQJDTOCYUBQ-VTLMFNHFSA-N
XLogP3.83
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1S,2S,3S,4R,5R)-5-amino-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol with MolForge

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Related Compounds

(1S,2R,3R,4R,5R)-5-methyl-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol
CID 10025814
(1S,3R,4S)-5-methyl-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol
CID 70901451
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(1S,3R,4R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 59435860
(1S,2S,3R,4R,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 102195211
(1S,2R,3S,4S,5S)-5-methoxy-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol
CID 10671161
(1S,2R,4S,5S,6R)-6-chloro-5-phenylmethoxycyclohexane-1,2,4-triol
CID 100947422
4-amino-5-phenylmethoxyoxolan-2-ol
CID 163839352
(1R,2S,3R,4S,5S,6R)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 6548176
(1S,2R,3R,4S,5R,6R)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 101254496
(1S,2S,3R,4S,5R,6S)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 10671261
(1R,2R,3R,4S,5S)-5-(furan-2-yl)-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol
CID 11092097

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S,4R,5R)-5-amino-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol?
The IUPAC name of (1S,2S,3S,4R,5R)-5-amino-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol (CID 15460032) is (1S,2S,3S,4R,5R)-5-amino-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol.
What is the SMILES notation for (1S,2S,3S,4R,5R)-5-amino-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol?
The canonical SMILES for (1S,2S,3S,4R,5R)-5-amino-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol is NC1C[C@H](O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of (1S,2S,3S,4R,5R)-5-amino-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol?
The InChIKey is WNTJQJDTOCYUBQ-VTLMFNHFSA-N. The full InChI is InChI=1S/C27H31NO4/c28-23-16-24(29)26(31-18-21-12-6-2-7-13-21)27(32-19-22-14-8-3-9-15-22)25(23)30-17-20-10-4-1-5-11-20/h1-15,23-27,29H,16-19,28H2/t23?,24-,25+,26-,27-/m0/s1.
What are the key properties of (1S,2S,3S,4R,5R)-5-amino-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol?
(1S,2S,3S,4R,5R)-5-amino-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol has a molecular weight of 433.55 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S,4R,5R)-5-amino-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol is sourced from PubChem (CID 15460032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).