(3aR,6R,7S,7aR)-2,2-dimethyl-7-phenylmethoxy-6-(trimethylsilyloxymethyl)-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-amine

C19H31NO5Si — CID 11394922

IUPAC(3aR,6R,7S,7aR)-2,2-dimethyl-7-phenylmethoxy-6-(trimethylsilyloxymethyl)-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-amine
SMILESCC1(C)O[C@@H]2[C@@H](CO[C@](N)(CO[Si](C)(C)C)[C@H]2OCc2ccccc2)O1
InChIInChI=1S/C19H31NO5Si/c1-18(2)24-15-12-22-19(20,13-23-26(3,4)5)17(16(15)25-18)21-11-14-9-7-6-8-10-14/h6-10,15-17H,11-13,20H2,1-5H3/t15-,16-,17+,19-/m1/s1
InChIKeyQWXVZEKSNKNIIT-VXIBKDFQSA-N
MW381.55 g/mol
LogP2.63
Rot. Bonds6

About (3aR,6R,7S,7aR)-2,2-dimethyl-7-phenylmethoxy-6-(trimethylsilyloxymethyl)-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-amine

(3aR,6R,7S,7aR)-2,2-dimethyl-7-phenylmethoxy-6-(trimethylsilyloxymethyl)-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-amine (PubChem CID 11394922) has the molecular formula C19H31NO5Si and a molecular weight of 381.55 g/mol. Its IUPAC name is (3aR,6R,7S,7aR)-2,2-dimethyl-7-phenylmethoxy-6-(trimethylsilyloxymethyl)-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-amine.

Molecular Properties

Compound Name(3aR,6R,7S,7aR)-2,2-dimethyl-7-phenylmethoxy-6-(trimethylsilyloxymethyl)-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-amine
PubChem CID11394922
Molecular FormulaC19H31NO5Si
Molecular Weight381.55 g/mol
Exact Mass381.20
IUPAC Name(3aR,6R,7S,7aR)-2,2-dimethyl-7-phenylmethoxy-6-(trimethylsilyloxymethyl)-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-amine
SMILESCC1(C)O[C@@H]2[C@@H](CO[C@](N)(CO[Si](C)(C)C)[C@H]2OCc2ccccc2)O1
InChIInChI=1S/C19H31NO5Si/c1-18(2)24-15-12-22-19(20,13-23-26(3,4)5)17(16(15)25-18)21-11-14-9-7-6-8-10-14/h6-10,15-17H,11-13,20H2,1-5H3/t15-,16-,17+,19-/m1/s1
InChIKeyQWXVZEKSNKNIIT-VXIBKDFQSA-N
XLogP2.63
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.55
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (3aR,6R,7S,7aR)-2,2-dimethyl-7-phenylmethoxy-6-(trimethylsilyloxymethyl)-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,6R,7S,7aR)-2,2-dimethyl-7-phenylmethoxy-6-(trimethylsilyloxymethyl)-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-amine?
The IUPAC name of (3aR,6R,7S,7aR)-2,2-dimethyl-7-phenylmethoxy-6-(trimethylsilyloxymethyl)-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-amine (CID 11394922) is (3aR,6R,7S,7aR)-2,2-dimethyl-7-phenylmethoxy-6-(trimethylsilyloxymethyl)-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-amine.
What is the SMILES notation for (3aR,6R,7S,7aR)-2,2-dimethyl-7-phenylmethoxy-6-(trimethylsilyloxymethyl)-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-amine?
The canonical SMILES for (3aR,6R,7S,7aR)-2,2-dimethyl-7-phenylmethoxy-6-(trimethylsilyloxymethyl)-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-amine is CC1(C)O[C@@H]2[C@@H](CO[C@](N)(CO[Si](C)(C)C)[C@H]2OCc2ccccc2)O1.
What is the InChIKey of (3aR,6R,7S,7aR)-2,2-dimethyl-7-phenylmethoxy-6-(trimethylsilyloxymethyl)-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-amine?
The InChIKey is QWXVZEKSNKNIIT-VXIBKDFQSA-N. The full InChI is InChI=1S/C19H31NO5Si/c1-18(2)24-15-12-22-19(20,13-23-26(3,4)5)17(16(15)25-18)21-11-14-9-7-6-8-10-14/h6-10,15-17H,11-13,20H2,1-5H3/t15-,16-,17+,19-/m1/s1.
What are the key properties of (3aR,6R,7S,7aR)-2,2-dimethyl-7-phenylmethoxy-6-(trimethylsilyloxymethyl)-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-amine?
(3aR,6R,7S,7aR)-2,2-dimethyl-7-phenylmethoxy-6-(trimethylsilyloxymethyl)-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-amine has a molecular weight of 381.55 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6R,7S,7aR)-2,2-dimethyl-7-phenylmethoxy-6-(trimethylsilyloxymethyl)-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-amine is sourced from PubChem (CID 11394922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).