(2R,3R,4R,5R,6R)-2-[[(2R)-3,3-dimethylaziridin-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol

C32H39NO6 — CID 100926714

IUPAC(2R,3R,4R,5R,6R)-2-[[(2R)-3,3-dimethylaziridin-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
SMILESCC1(C)N[C@H]1CO[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O
InChIInChI=1S/C32H39NO6/c1-32(2)27(33-32)22-38-31-28(34)30(37-20-25-16-10-5-11-17-25)29(36-19-24-14-8-4-9-15-24)26(39-31)21-35-18-23-12-6-3-7-13-23/h3-17,26-31,33-34H,18-22H2,1-2H3/t26-,27+,28-,29-,30-,31-/m1/s1
InChIKeyNYWJASXFJJITIZ-SGTOGCSPSA-N
MW533.67 g/mol
LogP4.23
Rot. Bonds13

About (2R,3R,4R,5R,6R)-2-[[(2R)-3,3-dimethylaziridin-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol

(2R,3R,4R,5R,6R)-2-[[(2R)-3,3-dimethylaziridin-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol (PubChem CID 100926714) has the molecular formula C32H39NO6 and a molecular weight of 533.67 g/mol. Its IUPAC name is (2R,3R,4R,5R,6R)-2-[[(2R)-3,3-dimethylaziridin-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R,5R,6R)-2-[[(2R)-3,3-dimethylaziridin-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
PubChem CID100926714
Molecular FormulaC32H39NO6
Molecular Weight533.67 g/mol
Exact Mass533.28
IUPAC Name(2R,3R,4R,5R,6R)-2-[[(2R)-3,3-dimethylaziridin-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
SMILESCC1(C)N[C@H]1CO[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O
InChIInChI=1S/C32H39NO6/c1-32(2)27(33-32)22-38-31-28(34)30(37-20-25-16-10-5-11-17-25)29(36-19-24-14-8-4-9-15-24)26(39-31)21-35-18-23-12-6-3-7-13-23/h3-17,26-31,33-34H,18-22H2,1-2H3/t26-,27+,28-,29-,30-,31-/m1/s1
InChIKeyNYWJASXFJJITIZ-SGTOGCSPSA-N
XLogP4.23
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.67
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (2R,3R,4R,5R,6R)-2-[[(2R)-3,3-dimethylaziridin-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R,4R,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 101487337
(2R,3R,4S,5R)-2,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-3-ol
CID 90477385
(2S,3R,4R,5R,6R)-2-[[(1R,2R)-2-methylcyclopropyl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 11092535
(5R)-2-[[(2R)-oxiran-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 134865888
(2S,3S,4S,5R,6R)-2-methoxy-4-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-ol
CID 102027655
(5R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enoxyoxan-3-ol
CID 134865887
(3R,4R,5S)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-ol
CID 11267933
(2S,3S,4S,5R,6R,7R)-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)-2-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]oxepan-3-ol
CID 71618827
(2S,3S,4R,5R,6R)-2-[[(2R,3R,4S,5S,6R)-6-ethylsulfanyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 11115680
(1S,2S,3R,4S,5R,6S)-2,3,4,5-tetrakis(phenylmethoxy)-6-[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxycyclohexan-1-ol
CID 101187763
(2R,3R,4S,5R,6R)-2-methoxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol
CID 10863561
(2S,3R,4S,5S,6S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2,3-diol
CID 123970736

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R,6R)-2-[[(2R)-3,3-dimethylaziridin-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol?
The IUPAC name of (2R,3R,4R,5R,6R)-2-[[(2R)-3,3-dimethylaziridin-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol (CID 100926714) is (2R,3R,4R,5R,6R)-2-[[(2R)-3,3-dimethylaziridin-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol.
What is the SMILES notation for (2R,3R,4R,5R,6R)-2-[[(2R)-3,3-dimethylaziridin-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol?
The canonical SMILES for (2R,3R,4R,5R,6R)-2-[[(2R)-3,3-dimethylaziridin-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol is CC1(C)N[C@H]1CO[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5R,6R)-2-[[(2R)-3,3-dimethylaziridin-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol?
The InChIKey is NYWJASXFJJITIZ-SGTOGCSPSA-N. The full InChI is InChI=1S/C32H39NO6/c1-32(2)27(33-32)22-38-31-28(34)30(37-20-25-16-10-5-11-17-25)29(36-19-24-14-8-4-9-15-24)26(39-31)21-35-18-23-12-6-3-7-13-23/h3-17,26-31,33-34H,18-22H2,1-2H3/t26-,27+,28-,29-,30-,31-/m1/s1.
What are the key properties of (2R,3R,4R,5R,6R)-2-[[(2R)-3,3-dimethylaziridin-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol?
(2R,3R,4R,5R,6R)-2-[[(2R)-3,3-dimethylaziridin-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol has a molecular weight of 533.67 g/mol, XLogP of 4.23, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R,6R)-2-[[(2R)-3,3-dimethylaziridin-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol is sourced from PubChem (CID 100926714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).