1-[(4aR,6R,7aS)-2-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-fluoropyrimidine-2,4-dione

C16H16FN2O6P — CID 155279696

IUPAC1-[(4aR,6R,7aS)-2-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-fluoropyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n([C@H]2C[C@@H]3OP(OCc4ccccc4)OC[C@H]3O2)cc1F
InChIInChI=1S/C16H16FN2O6P/c17-11-7-19(16(21)18-15(11)20)14-6-12-13(24-14)9-23-26(25-12)22-8-10-4-2-1-3-5-10/h1-5,7,12-14H,6,8-9H2,(H,18,20,21)/t12-,13+,14+,26?/m0/s1
InChIKeyWFVXAPYUVKBOEV-LQHRCAOOSA-N
MW382.28 g/mol
LogP1.82
Rot. Bonds4

About 1-[(4aR,6R,7aS)-2-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-fluoropyrimidine-2,4-dione

1-[(4aR,6R,7aS)-2-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-fluoropyrimidine-2,4-dione (PubChem CID 155279696) has the molecular formula C16H16FN2O6P and a molecular weight of 382.28 g/mol. Its IUPAC name is 1-[(4aR,6R,7aS)-2-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(4aR,6R,7aS)-2-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-fluoropyrimidine-2,4-dione
PubChem CID155279696
Molecular FormulaC16H16FN2O6P
Molecular Weight382.28 g/mol
Exact Mass382.07
IUPAC Name1-[(4aR,6R,7aS)-2-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-fluoropyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n([C@H]2C[C@@H]3OP(OCc4ccccc4)OC[C@H]3O2)cc1F
InChIInChI=1S/C16H16FN2O6P/c17-11-7-19(16(21)18-15(11)20)14-6-12-13(24-14)9-23-26(25-12)22-8-10-4-2-1-3-5-10/h1-5,7,12-14H,6,8-9H2,(H,18,20,21)/t12-,13+,14+,26?/m0/s1
InChIKeyWFVXAPYUVKBOEV-LQHRCAOOSA-N
XLogP1.82
TPSA91.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.28
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4aR,6R,7aS)-2-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-[(4aR,6R,7aS)-2-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-fluoropyrimidine-2,4-dione (CID 155279696) is 1-[(4aR,6R,7aS)-2-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-[(4aR,6R,7aS)-2-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-[(4aR,6R,7aS)-2-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-fluoropyrimidine-2,4-dione is O=c1[nH]c(=O)n([C@H]2C[C@@H]3OP(OCc4ccccc4)OC[C@H]3O2)cc1F.
What is the InChIKey of 1-[(4aR,6R,7aS)-2-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-fluoropyrimidine-2,4-dione?
The InChIKey is WFVXAPYUVKBOEV-LQHRCAOOSA-N. The full InChI is InChI=1S/C16H16FN2O6P/c17-11-7-19(16(21)18-15(11)20)14-6-12-13(24-14)9-23-26(25-12)22-8-10-4-2-1-3-5-10/h1-5,7,12-14H,6,8-9H2,(H,18,20,21)/t12-,13+,14+,26?/m0/s1.
What are the key properties of 1-[(4aR,6R,7aS)-2-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-fluoropyrimidine-2,4-dione?
1-[(4aR,6R,7aS)-2-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-fluoropyrimidine-2,4-dione has a molecular weight of 382.28 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4aR,6R,7aS)-2-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 155279696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).