N-[(3aS,4R,6S,6aS)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-N-[(1S)-1-dimethoxyphosphoryl-2-phenylmethoxyethyl]hydroxylamine

C24H38NO10P — CID 134876693

IUPACN-[(3aS,4R,6S,6aS)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-N-[(1S)-1-dimethoxyphosphoryl-2-phenylmethoxyethyl]hydroxylamine
SMILESCOP(=O)(OC)[C@@H](COCc1ccccc1)N(O)[C@H]1O[C@H]([C@H]2COC(C)(C)O2)[C@]2(C)OC(C)(C)O[C@H]12
InChIInChI=1S/C24H38NO10P/c1-22(2)31-14-17(33-22)19-24(5)20(34-23(3,4)35-24)21(32-19)25(26)18(36(27,28-6)29-7)15-30-13-16-11-9-8-10-12-16/h8-12,17-21,26H,13-15H2,1-7H3/t17-,18+,19-,20-,21+,24+/m1/s1
InChIKeyGLQAMKHJOFKPDS-PUFXGFDLSA-N
MW531.54 g/mol
LogP3.49
Rot. Bonds10

About N-[(3aS,4R,6S,6aS)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-N-[(1S)-1-dimethoxyphosphoryl-2-phenylmethoxyethyl]hydroxylamine

N-[(3aS,4R,6S,6aS)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-N-[(1S)-1-dimethoxyphosphoryl-2-phenylmethoxyethyl]hydroxylamine (PubChem CID 134876693) has the molecular formula C24H38NO10P and a molecular weight of 531.54 g/mol. Its IUPAC name is N-[(3aS,4R,6S,6aS)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-N-[(1S)-1-dimethoxyphosphoryl-2-phenylmethoxyethyl]hydroxylamine.

Molecular Properties

Compound NameN-[(3aS,4R,6S,6aS)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-N-[(1S)-1-dimethoxyphosphoryl-2-phenylmethoxyethyl]hydroxylamine
PubChem CID134876693
Molecular FormulaC24H38NO10P
Molecular Weight531.54 g/mol
Exact Mass531.22
IUPAC NameN-[(3aS,4R,6S,6aS)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-N-[(1S)-1-dimethoxyphosphoryl-2-phenylmethoxyethyl]hydroxylamine
SMILESCOP(=O)(OC)[C@@H](COCc1ccccc1)N(O)[C@H]1O[C@H]([C@H]2COC(C)(C)O2)[C@]2(C)OC(C)(C)O[C@H]12
InChIInChI=1S/C24H38NO10P/c1-22(2)31-14-17(33-22)19-24(5)20(34-23(3,4)35-24)21(32-19)25(26)18(36(27,28-6)29-7)15-30-13-16-11-9-8-10-12-16/h8-12,17-21,26H,13-15H2,1-7H3/t17-,18+,19-,20-,21+,24+/m1/s1
InChIKeyGLQAMKHJOFKPDS-PUFXGFDLSA-N
XLogP3.49
TPSA114.38 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.54
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze N-[(3aS,4R,6S,6aS)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-N-[(1S)-1-dimethoxyphosphoryl-2-phenylmethoxyethyl]hydroxylamine with MolForge

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Related Compounds

N-[(3aS,4R,6S,6aS)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-N-[(1S)-1-diethoxyphosphoryl-2-phenylmethoxyethyl]hydroxylamine
CID 134876727
N-[(3aS,4R,6S,6aS)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-N-[(1S)-1-di(propan-2-yloxy)phosphoryl-2-phenylmethoxyethyl]hydroxylamine
CID 134876796
N-[(3aS,4R,6S,6aS)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-N-[(1S)-1-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]-2-phenylmethoxyethyl]hydroxylamine
CID 134876895
N-[(3aS,4R,6S,6aS)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-N-[(1S)-1-bis(phenylmethoxy)phosphoryl-2-phenylmethoxyethyl]hydroxylamine
CID 134877012
N-[(3aS,4R,6S,6aS)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-N-[(1S)-1-bis(phenylmethoxy)phosphoryl-2-methylpropyl]hydroxylamine
CID 134877044
N-[(3aS,4R,6S,6aS)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-N-[(1S)-1-bis(phenylmethoxy)phosphorylethyl]hydroxylamine
CID 134877576
N-[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(1S)-1-bis(phenylmethoxy)phosphoryl-2-phenylmethoxyethyl]hydroxylamine
CID 134883947
N-[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(1R)-1-bis(phenylmethoxy)phosphoryl-2-phenylmethoxyethyl]hydroxylamine
CID 134883948
N-[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(1S)-1-di(propan-2-yloxy)phosphoryl-2-phenylmethoxyethyl]hydroxylamine
CID 134926949
N-[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(1R)-1-di(propan-2-yloxy)phosphoryl-2-phenylmethoxyethyl]hydroxylamine
CID 134926950
N-[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(1S)-1-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]-2-phenylmethoxyethyl]hydroxylamine
CID 134926951
N-[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(1R)-1-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]-2-phenylmethoxyethyl]hydroxylamine
CID 134926952

Frequently Asked Questions

What is the IUPAC name of N-[(3aS,4R,6S,6aS)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-N-[(1S)-1-dimethoxyphosphoryl-2-phenylmethoxyethyl]hydroxylamine?
The IUPAC name of N-[(3aS,4R,6S,6aS)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-N-[(1S)-1-dimethoxyphosphoryl-2-phenylmethoxyethyl]hydroxylamine (CID 134876693) is N-[(3aS,4R,6S,6aS)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-N-[(1S)-1-dimethoxyphosphoryl-2-phenylmethoxyethyl]hydroxylamine.
What is the SMILES notation for N-[(3aS,4R,6S,6aS)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-N-[(1S)-1-dimethoxyphosphoryl-2-phenylmethoxyethyl]hydroxylamine?
The canonical SMILES for N-[(3aS,4R,6S,6aS)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-N-[(1S)-1-dimethoxyphosphoryl-2-phenylmethoxyethyl]hydroxylamine is COP(=O)(OC)[C@@H](COCc1ccccc1)N(O)[C@H]1O[C@H]([C@H]2COC(C)(C)O2)[C@]2(C)OC(C)(C)O[C@H]12.
What is the InChIKey of N-[(3aS,4R,6S,6aS)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-N-[(1S)-1-dimethoxyphosphoryl-2-phenylmethoxyethyl]hydroxylamine?
The InChIKey is GLQAMKHJOFKPDS-PUFXGFDLSA-N. The full InChI is InChI=1S/C24H38NO10P/c1-22(2)31-14-17(33-22)19-24(5)20(34-23(3,4)35-24)21(32-19)25(26)18(36(27,28-6)29-7)15-30-13-16-11-9-8-10-12-16/h8-12,17-21,26H,13-15H2,1-7H3/t17-,18+,19-,20-,21+,24+/m1/s1.
What are the key properties of N-[(3aS,4R,6S,6aS)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-N-[(1S)-1-dimethoxyphosphoryl-2-phenylmethoxyethyl]hydroxylamine?
N-[(3aS,4R,6S,6aS)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-N-[(1S)-1-dimethoxyphosphoryl-2-phenylmethoxyethyl]hydroxylamine has a molecular weight of 531.54 g/mol, XLogP of 3.49, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aS,4R,6S,6aS)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-N-[(1S)-1-dimethoxyphosphoryl-2-phenylmethoxyethyl]hydroxylamine is sourced from PubChem (CID 134876693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).