(4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-3-carbohydrazide

C28H32N2O5 — CID 156818505

IUPAC(4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-3-carbohydrazide
SMILESNNC(=O)C1CO[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C28H32N2O5/c29-30-28(31)24-19-33-25(20-32-16-21-10-4-1-5-11-21)27(35-18-23-14-8-3-9-15-23)26(24)34-17-22-12-6-2-7-13-22/h1-15,24-27H,16-20,29H2,(H,30,31)/t24?,25-,26-,27+/m1/s1
InChIKeyQYMAORPKZOMPEF-YFNGWOBRSA-N
MW476.57 g/mol
LogP3.38
Rot. Bonds11

About (4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-3-carbohydrazide

(4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-3-carbohydrazide (PubChem CID 156818505) has the molecular formula C28H32N2O5 and a molecular weight of 476.57 g/mol. Its IUPAC name is (4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-3-carbohydrazide.

Molecular Properties

Compound Name(4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-3-carbohydrazide
PubChem CID156818505
Molecular FormulaC28H32N2O5
Molecular Weight476.57 g/mol
Exact Mass476.23
IUPAC Name(4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-3-carbohydrazide
SMILESNNC(=O)C1CO[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C28H32N2O5/c29-30-28(31)24-19-33-25(20-32-16-21-10-4-1-5-11-21)27(35-18-23-14-8-3-9-15-23)26(24)34-17-22-12-6-2-7-13-22/h1-15,24-27H,16-20,29H2,(H,30,31)/t24?,25-,26-,27+/m1/s1
InChIKeyQYMAORPKZOMPEF-YFNGWOBRSA-N
XLogP3.38
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]carbamic acid
CID 166681867
[(3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]carbamic acid
CID 166681876
(2R,3R,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolane
CID 122363520
N-[(3S,4R,5R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 163997809
N-[[(3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]methyl]acetamide
CID 156818521
5-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 166975544
(3S,4S)-3-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 135017778
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
N-[4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]-1,1,1-trifluoromethanesulfonamide
CID 166975304
1-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]propan-2-one
CID 177494460
(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carboxylic acid
CID 102396248
2-[(2R,3R,4S,5R,6R)-5-hydroxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetamide
CID 138645338

Frequently Asked Questions

What is the IUPAC name of (4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-3-carbohydrazide?
The IUPAC name of (4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-3-carbohydrazide (CID 156818505) is (4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-3-carbohydrazide.
What is the SMILES notation for (4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-3-carbohydrazide?
The canonical SMILES for (4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-3-carbohydrazide is NNC(=O)C1CO[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of (4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-3-carbohydrazide?
The InChIKey is QYMAORPKZOMPEF-YFNGWOBRSA-N. The full InChI is InChI=1S/C28H32N2O5/c29-30-28(31)24-19-33-25(20-32-16-21-10-4-1-5-11-21)27(35-18-23-14-8-3-9-15-23)26(24)34-17-22-12-6-2-7-13-22/h1-15,24-27H,16-20,29H2,(H,30,31)/t24?,25-,26-,27+/m1/s1.
What are the key properties of (4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-3-carbohydrazide?
(4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-3-carbohydrazide has a molecular weight of 476.57 g/mol, XLogP of 3.38, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-3-carbohydrazide is sourced from PubChem (CID 156818505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).