(3R,4R,5R)-2-(3-methoxy-3-methylbutoxy)-5-(morpholin-4-ylmethyl)-4-(naphthalen-2-ylmethoxy)oxolan-3-ol

C26H37NO6 — CID 59922385

IUPAC(3R,4R,5R)-2-(3-methoxy-3-methylbutoxy)-5-(morpholin-4-ylmethyl)-4-(naphthalen-2-ylmethoxy)oxolan-3-ol
SMILESCOC(C)(C)CCOC1O[C@H](CN2CCOCC2)[C@H](OCc2ccc3ccccc3c2)[C@H]1O
InChIInChI=1S/C26H37NO6/c1-26(2,29-3)10-13-31-25-23(28)24(22(33-25)17-27-11-14-30-15-12-27)32-18-19-8-9-20-6-4-5-7-21(20)16-19/h4-9,16,22-25,28H,10-15,17-18H2,1-3H3/t22-,23-,24+,25?/m1/s1
InChIKeyRQCJCAVWUPXRMJ-DVFNDFDXSA-N
MW459.58 g/mol
LogP2.97
Rot. Bonds10

About (3R,4R,5R)-2-(3-methoxy-3-methylbutoxy)-5-(morpholin-4-ylmethyl)-4-(naphthalen-2-ylmethoxy)oxolan-3-ol

(3R,4R,5R)-2-(3-methoxy-3-methylbutoxy)-5-(morpholin-4-ylmethyl)-4-(naphthalen-2-ylmethoxy)oxolan-3-ol (PubChem CID 59922385) has the molecular formula C26H37NO6 and a molecular weight of 459.58 g/mol. Its IUPAC name is (3R,4R,5R)-2-(3-methoxy-3-methylbutoxy)-5-(morpholin-4-ylmethyl)-4-(naphthalen-2-ylmethoxy)oxolan-3-ol.

Molecular Properties

Compound Name(3R,4R,5R)-2-(3-methoxy-3-methylbutoxy)-5-(morpholin-4-ylmethyl)-4-(naphthalen-2-ylmethoxy)oxolan-3-ol
PubChem CID59922385
Molecular FormulaC26H37NO6
Molecular Weight459.58 g/mol
Exact Mass459.26
IUPAC Name(3R,4R,5R)-2-(3-methoxy-3-methylbutoxy)-5-(morpholin-4-ylmethyl)-4-(naphthalen-2-ylmethoxy)oxolan-3-ol
SMILESCOC(C)(C)CCOC1O[C@H](CN2CCOCC2)[C@H](OCc2ccc3ccccc3c2)[C@H]1O
InChIInChI=1S/C26H37NO6/c1-26(2,29-3)10-13-31-25-23(28)24(22(33-25)17-27-11-14-30-15-12-27)32-18-19-8-9-20-6-4-5-7-21(20)16-19/h4-9,16,22-25,28H,10-15,17-18H2,1-3H3/t22-,23-,24+,25?/m1/s1
InChIKeyRQCJCAVWUPXRMJ-DVFNDFDXSA-N
XLogP2.97
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.58
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-2-(3-methoxy-3-methylbutoxy)-5-(morpholin-4-ylmethyl)-4-(naphthalen-2-ylmethoxy)oxolan-3-ol?
The IUPAC name of (3R,4R,5R)-2-(3-methoxy-3-methylbutoxy)-5-(morpholin-4-ylmethyl)-4-(naphthalen-2-ylmethoxy)oxolan-3-ol (CID 59922385) is (3R,4R,5R)-2-(3-methoxy-3-methylbutoxy)-5-(morpholin-4-ylmethyl)-4-(naphthalen-2-ylmethoxy)oxolan-3-ol.
What is the SMILES notation for (3R,4R,5R)-2-(3-methoxy-3-methylbutoxy)-5-(morpholin-4-ylmethyl)-4-(naphthalen-2-ylmethoxy)oxolan-3-ol?
The canonical SMILES for (3R,4R,5R)-2-(3-methoxy-3-methylbutoxy)-5-(morpholin-4-ylmethyl)-4-(naphthalen-2-ylmethoxy)oxolan-3-ol is COC(C)(C)CCOC1O[C@H](CN2CCOCC2)[C@H](OCc2ccc3ccccc3c2)[C@H]1O.
What is the InChIKey of (3R,4R,5R)-2-(3-methoxy-3-methylbutoxy)-5-(morpholin-4-ylmethyl)-4-(naphthalen-2-ylmethoxy)oxolan-3-ol?
The InChIKey is RQCJCAVWUPXRMJ-DVFNDFDXSA-N. The full InChI is InChI=1S/C26H37NO6/c1-26(2,29-3)10-13-31-25-23(28)24(22(33-25)17-27-11-14-30-15-12-27)32-18-19-8-9-20-6-4-5-7-21(20)16-19/h4-9,16,22-25,28H,10-15,17-18H2,1-3H3/t22-,23-,24+,25?/m1/s1.
What are the key properties of (3R,4R,5R)-2-(3-methoxy-3-methylbutoxy)-5-(morpholin-4-ylmethyl)-4-(naphthalen-2-ylmethoxy)oxolan-3-ol?
(3R,4R,5R)-2-(3-methoxy-3-methylbutoxy)-5-(morpholin-4-ylmethyl)-4-(naphthalen-2-ylmethoxy)oxolan-3-ol has a molecular weight of 459.58 g/mol, XLogP of 2.97, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-2-(3-methoxy-3-methylbutoxy)-5-(morpholin-4-ylmethyl)-4-(naphthalen-2-ylmethoxy)oxolan-3-ol is sourced from PubChem (CID 59922385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).