N-[[1-[(3R,4S)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]acetamide

About N-[[1-[(3R,4S)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]acetamide

N-[[1-[(3R,4S)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]acetamide (PubChem CID 118682014) has the molecular formula C16H26N3O6P and a molecular weight of 387.37 g/mol. Its IUPAC name is N-[[1-[(3R,4S)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]acetamide.

Molecular Properties

Compound Name	N-[[1-[(3R,4S)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]acetamide
PubChem CID	118682014
Molecular Formula	C16H26N3O6P
Molecular Weight	387.37 g/mol
Exact Mass	387.16
IUPAC Name	N-[[1-[(3R,4S)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]acetamide
SMILES	C=P(C)(C)CCC1OC(n2cc(CNC(C)=O)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O
InChI	InChI=1S/C16H26N3O6P/c1-9(20)17-7-10-8-19(16(24)18-14(10)23)15-13(22)12(21)11(25-15)5-6-26(2,3)4/h8,11-13,15,21-22H,2,5-7H2,1,3-4H3,(H,17,20)(H,18,23,24)/t11?,12-,13-,15?/m1/s1
InChIKey	ZWIFRNXYUVLZAI-DNCHLWJUSA-N
XLogP	-1.11
TPSA	133.65 Å²
H-Bond Donors	4
H-Bond Acceptors	7
Rotatable Bonds	6
Heavy Atoms	26
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.37
LogP ≤ 5	-1.11
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3R,4S)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[1-[(3R,4S)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]acetamide (CID 118682014) is N-[[1-[(3R,4S)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[1-[(3R,4S)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[1-[(3R,4S)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]acetamide is C=P(C)(C)CCC1OC(n2cc(CNC(C)=O)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O.

What is the InChIKey of N-[[1-[(3R,4S)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]acetamide?

The InChIKey is ZWIFRNXYUVLZAI-DNCHLWJUSA-N. The full InChI is InChI=1S/C16H26N3O6P/c1-9(20)17-7-10-8-19(16(24)18-14(10)23)15-13(22)12(21)11(25-15)5-6-26(2,3)4/h8,11-13,15,21-22H,2,5-7H2,1,3-4H3,(H,17,20)(H,18,23,24)/t11?,12-,13-,15?/m1/s1.

What are the key properties of N-[[1-[(3R,4S)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]acetamide?

N-[[1-[(3R,4S)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]acetamide has a molecular weight of 387.37 g/mol, XLogP of -1.11, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[(3R,4S)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]acetamide is sourced from PubChem (CID 118682014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).