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

C29H38N2O6 — CID 135030003

IUPAC[(2R,3R,4R,5R)-5-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
SMILESCOC1=N[C@H](C(C)C)C(OC)=N[C@@H]1C[C@H]1O[C@H](CO)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C29H38N2O6/c1-19(2)25-29(34-4)30-22(28(31-25)33-3)15-23-26(35-17-20-11-7-5-8-12-20)27(24(16-32)37-23)36-18-21-13-9-6-10-14-21/h5-14,19,22-27,32H,15-18H2,1-4H3/t22-,23-,24-,25-,26-,27-/m1/s1
InChIKeyUSEXYZJIEQIGOZ-ZRRJEQDASA-N
MW510.63 g/mol
LogP3.80
Rot. Bonds10

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

[(2R,3R,4R,5R)-5-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol (PubChem CID 135030003) has the molecular formula C29H38N2O6 and a molecular weight of 510.63 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-5-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R,4R,5R)-5-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
PubChem CID135030003
Molecular FormulaC29H38N2O6
Molecular Weight510.63 g/mol
Exact Mass510.27
IUPAC Name[(2R,3R,4R,5R)-5-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
SMILESCOC1=N[C@H](C(C)C)C(OC)=N[C@@H]1C[C@H]1O[C@H](CO)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C29H38N2O6/c1-19(2)25-29(34-4)30-22(28(31-25)33-3)15-23-26(35-17-20-11-7-5-8-12-20)27(24(16-32)37-23)36-18-21-13-9-6-10-14-21/h5-14,19,22-27,32H,15-18H2,1-4H3/t22-,23-,24-,25-,26-,27-/m1/s1
InChIKeyUSEXYZJIEQIGOZ-ZRRJEQDASA-N
XLogP3.80
TPSA91.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.63
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-5-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol?
The IUPAC name of [(2R,3R,4R,5R)-5-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol (CID 135030003) is [(2R,3R,4R,5R)-5-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol.
What is the SMILES notation for [(2R,3R,4R,5R)-5-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol?
The canonical SMILES for [(2R,3R,4R,5R)-5-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol is COC1=N[C@H](C(C)C)C(OC)=N[C@@H]1C[C@H]1O[C@H](CO)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of [(2R,3R,4R,5R)-5-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol?
The InChIKey is USEXYZJIEQIGOZ-ZRRJEQDASA-N. The full InChI is InChI=1S/C29H38N2O6/c1-19(2)25-29(34-4)30-22(28(31-25)33-3)15-23-26(35-17-20-11-7-5-8-12-20)27(24(16-32)37-23)36-18-21-13-9-6-10-14-21/h5-14,19,22-27,32H,15-18H2,1-4H3/t22-,23-,24-,25-,26-,27-/m1/s1.
What are the key properties of [(2R,3R,4R,5R)-5-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol?
[(2R,3R,4R,5R)-5-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol has a molecular weight of 510.63 g/mol, XLogP of 3.80, 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-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol is sourced from PubChem (CID 135030003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).