[(2R,3R,4R,5R)-5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanamine

C29H39N3O5 — CID 135029895

IUPAC[(2R,3R,4R,5R)-5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanamine
SMILESCOC1=N[C@H](C(C)C)C(OC)=N[C@H]1C[C@H]1O[C@H](CN)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C29H39N3O5/c1-19(2)25-29(34-4)31-22(28(32-25)33-3)15-23-26(35-17-20-11-7-5-8-12-20)27(24(16-30)37-23)36-18-21-13-9-6-10-14-21/h5-14,19,22-27H,15-18,30H2,1-4H3/t22-,23+,24+,25+,26+,27+/m0/s1
InChIKeyCMNQJDQWSKAKBZ-IAEDMQEOSA-N
MW509.65 g/mol
LogP3.77
Rot. Bonds10

About [(2R,3R,4R,5R)-5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanamine

[(2R,3R,4R,5R)-5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanamine (PubChem CID 135029895) has the molecular formula C29H39N3O5 and a molecular weight of 509.65 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[(2R,3R,4R,5R)-5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanamine
PubChem CID135029895
Molecular FormulaC29H39N3O5
Molecular Weight509.65 g/mol
Exact Mass509.29
IUPAC Name[(2R,3R,4R,5R)-5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanamine
SMILESCOC1=N[C@H](C(C)C)C(OC)=N[C@H]1C[C@H]1O[C@H](CN)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C29H39N3O5/c1-19(2)25-29(34-4)31-22(28(32-25)33-3)15-23-26(35-17-20-11-7-5-8-12-20)27(24(16-30)37-23)36-18-21-13-9-6-10-14-21/h5-14,19,22-27H,15-18,30H2,1-4H3/t22-,23+,24+,25+,26+,27+/m0/s1
InChIKeyCMNQJDQWSKAKBZ-IAEDMQEOSA-N
XLogP3.77
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.65
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(2R,3R,4R,5R)-5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanamine with MolForge

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Launch Full Analysis

Related Compounds

(2R,5R)-3,6-dimethoxy-2-(2-methyl-3-phenylmethoxypropyl)-5-propan-2-yl-2,5-dihydropyrazine
CID 57154728
methyl 2-[(2S,3S,4R,5R,6R)-6-(aminomethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]acetate
CID 11145593
3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-propan-2-yloxyoxolane
CID 14702693
(3R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-propan-2-yloxyoxane
CID 146165602
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2S,3S,4S,5S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66509215
(2S,3R,4R,5R)-2,3-dimethoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 59796294
(3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl)methyl-(iodomethyl)-dimethylsilane
CID 85234370
5-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 166975544
(2S,3S,4S,5S,6S)-2-methoxy-6-[[(2S,3S,4R,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methylsulfanylmethyl]-3,4,5-tris(phenylmethoxy)oxane
CID 50906249
(2S,3R,4S,5R,6R)-2-[[(2R,3R,4R,5R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 100914116
(2S,3S,4S,5R,6R)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-[[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxane
CID 101466652

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanamine?
The IUPAC name of [(2R,3R,4R,5R)-5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanamine (CID 135029895) is [(2R,3R,4R,5R)-5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanamine.
What is the SMILES notation for [(2R,3R,4R,5R)-5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanamine?
The canonical SMILES for [(2R,3R,4R,5R)-5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanamine is COC1=N[C@H](C(C)C)C(OC)=N[C@H]1C[C@H]1O[C@H](CN)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of [(2R,3R,4R,5R)-5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanamine?
The InChIKey is CMNQJDQWSKAKBZ-IAEDMQEOSA-N. The full InChI is InChI=1S/C29H39N3O5/c1-19(2)25-29(34-4)31-22(28(32-25)33-3)15-23-26(35-17-20-11-7-5-8-12-20)27(24(16-30)37-23)36-18-21-13-9-6-10-14-21/h5-14,19,22-27H,15-18,30H2,1-4H3/t22-,23+,24+,25+,26+,27+/m0/s1.
What are the key properties of [(2R,3R,4R,5R)-5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanamine?
[(2R,3R,4R,5R)-5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanamine has a molecular weight of 509.65 g/mol, XLogP of 3.77, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R)-5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanamine is sourced from PubChem (CID 135029895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).