(2S,3S,4R,5R)-2-methoxy-5-(nitromethyl)-3,4-bis(phenylmethoxy)oxolane

C20H23NO6 — CID 101201662

IUPAC(2S,3S,4R,5R)-2-methoxy-5-(nitromethyl)-3,4-bis(phenylmethoxy)oxolane
SMILESCO[C@H]1O[C@H](C[N+](=O)[O-])[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C20H23NO6/c1-24-20-19(26-14-16-10-6-3-7-11-16)18(17(27-20)12-21(22)23)25-13-15-8-4-2-5-9-15/h2-11,17-20H,12-14H2,1H3/t17-,18-,19+,20+/m1/s1
InChIKeyIWEYVRPZPDZIPD-ZRNYENFQSA-N
MW373.41 g/mol
LogP2.81
Rot. Bonds9

About (2S,3S,4R,5R)-2-methoxy-5-(nitromethyl)-3,4-bis(phenylmethoxy)oxolane

(2S,3S,4R,5R)-2-methoxy-5-(nitromethyl)-3,4-bis(phenylmethoxy)oxolane (PubChem CID 101201662) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is (2S,3S,4R,5R)-2-methoxy-5-(nitromethyl)-3,4-bis(phenylmethoxy)oxolane.

Molecular Properties

Compound Name(2S,3S,4R,5R)-2-methoxy-5-(nitromethyl)-3,4-bis(phenylmethoxy)oxolane
PubChem CID101201662
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Name(2S,3S,4R,5R)-2-methoxy-5-(nitromethyl)-3,4-bis(phenylmethoxy)oxolane
SMILESCO[C@H]1O[C@H](C[N+](=O)[O-])[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C20H23NO6/c1-24-20-19(26-14-16-10-6-3-7-11-16)18(17(27-20)12-21(22)23)25-13-15-8-4-2-5-9-15/h2-11,17-20H,12-14H2,1H3/t17-,18-,19+,20+/m1/s1
InChIKeyIWEYVRPZPDZIPD-ZRNYENFQSA-N
XLogP2.81
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3aR,5R,6S,6aR)-5-(azidomethyl)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 14523410
2-Methoxy-3-(nitromethyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 74335166
(4S,5S)-2,2-dimethyl-4-(nitromethyl)-5-(phenylmethoxymethyl)-1,3-dioxolane
CID 10923974
(1S,3R,4S,5S,6R,7R)-3-methoxy-5-nitro-6,7-bis(phenylmethoxy)-2-oxabicyclo[2.2.1]heptane
CID 11153352
Benzyl 4-C-Nitromethylene-|A-D-arabinopyranoside
CID 11220274
(2R,4aR,6R,8aS)-6-methoxy-8-nitro-2-phenyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine
CID 12346822
(3aR,5S,6R,6aR)-5-(1-dimethoxyphosphoryl-2-nitroethyl)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 15111666
(2-Nitro-1-phenylmethoxyethoxy)methylbenzene
CID 24976300
2,2-Dimethyl-4-(nitromethyl)-5-phenyl-1,3-dioxolane
CID 86226129
methyl 3,4,6-tri-O-benzyl-2-deoxy-2-C-nitromethyl-beta-D-galactopyranoside
CID 101860319
[(2R,3R,4R,5R,6R)-3-nitro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] acetate
CID 102123046
3,4,6-tri-O-benzyl-1,2-dideoxy-1-nitro-d-arabino-hexopyranose
CID 129846878

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-2-methoxy-5-(nitromethyl)-3,4-bis(phenylmethoxy)oxolane?
The IUPAC name of (2S,3S,4R,5R)-2-methoxy-5-(nitromethyl)-3,4-bis(phenylmethoxy)oxolane (CID 101201662) is (2S,3S,4R,5R)-2-methoxy-5-(nitromethyl)-3,4-bis(phenylmethoxy)oxolane.
What is the SMILES notation for (2S,3S,4R,5R)-2-methoxy-5-(nitromethyl)-3,4-bis(phenylmethoxy)oxolane?
The canonical SMILES for (2S,3S,4R,5R)-2-methoxy-5-(nitromethyl)-3,4-bis(phenylmethoxy)oxolane is CO[C@H]1O[C@H](C[N+](=O)[O-])[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of (2S,3S,4R,5R)-2-methoxy-5-(nitromethyl)-3,4-bis(phenylmethoxy)oxolane?
The InChIKey is IWEYVRPZPDZIPD-ZRNYENFQSA-N. The full InChI is InChI=1S/C20H23NO6/c1-24-20-19(26-14-16-10-6-3-7-11-16)18(17(27-20)12-21(22)23)25-13-15-8-4-2-5-9-15/h2-11,17-20H,12-14H2,1H3/t17-,18-,19+,20+/m1/s1.
What are the key properties of (2S,3S,4R,5R)-2-methoxy-5-(nitromethyl)-3,4-bis(phenylmethoxy)oxolane?
(2S,3S,4R,5R)-2-methoxy-5-(nitromethyl)-3,4-bis(phenylmethoxy)oxolane has a molecular weight of 373.41 g/mol, XLogP of 2.81, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-2-methoxy-5-(nitromethyl)-3,4-bis(phenylmethoxy)oxolane is sourced from PubChem (CID 101201662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).