[(2R,3S,4R,5R)-5-[3-(ethenylamino)prop-1-en-2-ylamino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

C10H19N2O7P — CID 89028914

IUPAC[(2R,3S,4R,5R)-5-[3-(ethenylamino)prop-1-en-2-ylamino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
SMILESC=CNCC(=C)N[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O
InChIInChI=1S/C10H19N2O7P/c1-3-11-4-6(2)12-10-9(14)8(13)7(19-10)5-18-20(15,16)17/h3,7-14H,1-2,4-5H2,(H2,15,16,17)/t7-,8-,9-,10-/m1/s1
InChIKeyKCHIOGKMOCSLBA-ZYUZMQFOSA-N
MW310.24 g/mol
LogP-1.62
Rot. Bonds8

About [(2R,3S,4R,5R)-5-[3-(ethenylamino)prop-1-en-2-ylamino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

[(2R,3S,4R,5R)-5-[3-(ethenylamino)prop-1-en-2-ylamino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate (PubChem CID 89028914) has the molecular formula C10H19N2O7P and a molecular weight of 310.24 g/mol. Its IUPAC name is [(2R,3S,4R,5R)-5-[3-(ethenylamino)prop-1-en-2-ylamino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate.

Molecular Properties

Compound Name[(2R,3S,4R,5R)-5-[3-(ethenylamino)prop-1-en-2-ylamino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
PubChem CID89028914
Molecular FormulaC10H19N2O7P
Molecular Weight310.24 g/mol
Exact Mass310.09
IUPAC Name[(2R,3S,4R,5R)-5-[3-(ethenylamino)prop-1-en-2-ylamino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
SMILESC=CNCC(=C)N[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O
InChIInChI=1S/C10H19N2O7P/c1-3-11-4-6(2)12-10-9(14)8(13)7(19-10)5-18-20(15,16)17/h3,7-14H,1-2,4-5H2,(H2,15,16,17)/t7-,8-,9-,10-/m1/s1
InChIKeyKCHIOGKMOCSLBA-ZYUZMQFOSA-N
XLogP-1.62
TPSA140.51 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.24
LogP ≤ 5-1.62
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3R,4S,5S)-5-[(2-formamidoacetyl)amino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 163067864
CID 163774685
CID 163774685
[(3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 167077165
[(2R,4S,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 91746440
[(2R,3S,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 46876838
CID 131865245
CID 131865245
[(2R,3S,4R)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl dihydrogen phosphate
CID 166808827
barium(2+);hydride;[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate
CID 173352052
[5-[(1-amino-2-formamidoethylidene)amino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 154
2-[(2R,4R,5S)-3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl]acetic acid
CID 159754254
[(2S,4R,5S)-3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl] dihydrogen phosphate
CID 123165399
[(2R,3R,4R,5R,6R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methyl dihydrogen phosphate
CID 46936841

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R)-5-[3-(ethenylamino)prop-1-en-2-ylamino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate?
The IUPAC name of [(2R,3S,4R,5R)-5-[3-(ethenylamino)prop-1-en-2-ylamino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate (CID 89028914) is [(2R,3S,4R,5R)-5-[3-(ethenylamino)prop-1-en-2-ylamino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate.
What is the SMILES notation for [(2R,3S,4R,5R)-5-[3-(ethenylamino)prop-1-en-2-ylamino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate?
The canonical SMILES for [(2R,3S,4R,5R)-5-[3-(ethenylamino)prop-1-en-2-ylamino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate is C=CNCC(=C)N[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.
What is the InChIKey of [(2R,3S,4R,5R)-5-[3-(ethenylamino)prop-1-en-2-ylamino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate?
The InChIKey is KCHIOGKMOCSLBA-ZYUZMQFOSA-N. The full InChI is InChI=1S/C10H19N2O7P/c1-3-11-4-6(2)12-10-9(14)8(13)7(19-10)5-18-20(15,16)17/h3,7-14H,1-2,4-5H2,(H2,15,16,17)/t7-,8-,9-,10-/m1/s1.
What are the key properties of [(2R,3S,4R,5R)-5-[3-(ethenylamino)prop-1-en-2-ylamino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate?
[(2R,3S,4R,5R)-5-[3-(ethenylamino)prop-1-en-2-ylamino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate has a molecular weight of 310.24 g/mol, XLogP of -1.62, 8 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5R)-5-[3-(ethenylamino)prop-1-en-2-ylamino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate is sourced from PubChem (CID 89028914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).