[[5-[[(Z)-3-amino-2-methyl-3-methyliminoprop-1-enyl]-formylamino]-4-hydroxyoxolan-2-yl]oxy-phosphanylmethyl] dihydrogen phosphite

C11H21N3O7P2 — CID 142962540

IUPAC[[5-[[(Z)-3-amino-2-methyl-3-methyliminoprop-1-enyl]-formylamino]-4-hydroxyoxolan-2-yl]oxy-phosphanylmethyl] dihydrogen phosphite
SMILESC/N=C(N)/C(C)=C\N(C=O)C1OC(OC(P)OP(O)O)CC1O
InChIInChI=1S/C11H21N3O7P2/c1-6(9(12)13-2)4-14(5-15)10-7(16)3-8(19-10)20-11(22)21-23(17)18/h4-5,7-8,10-11,16-18H,3,22H2,1-2H3,(H2,12,13)/b6-4-
InChIKeyGDYMGRATJPQKEH-XQRVVYSFSA-N
MW369.25 g/mol
LogP-0.83
Rot. Bonds8

About [[5-[[(Z)-3-amino-2-methyl-3-methyliminoprop-1-enyl]-formylamino]-4-hydroxyoxolan-2-yl]oxy-phosphanylmethyl] dihydrogen phosphite

[[5-[[(Z)-3-amino-2-methyl-3-methyliminoprop-1-enyl]-formylamino]-4-hydroxyoxolan-2-yl]oxy-phosphanylmethyl] dihydrogen phosphite (PubChem CID 142962540) has the molecular formula C11H21N3O7P2 and a molecular weight of 369.25 g/mol. Its IUPAC name is [[5-[[(Z)-3-amino-2-methyl-3-methyliminoprop-1-enyl]-formylamino]-4-hydroxyoxolan-2-yl]oxy-phosphanylmethyl] dihydrogen phosphite.

Molecular Properties

Compound Name[[5-[[(Z)-3-amino-2-methyl-3-methyliminoprop-1-enyl]-formylamino]-4-hydroxyoxolan-2-yl]oxy-phosphanylmethyl] dihydrogen phosphite
PubChem CID142962540
Molecular FormulaC11H21N3O7P2
Molecular Weight369.25 g/mol
Exact Mass369.09
IUPAC Name[[5-[[(Z)-3-amino-2-methyl-3-methyliminoprop-1-enyl]-formylamino]-4-hydroxyoxolan-2-yl]oxy-phosphanylmethyl] dihydrogen phosphite
SMILESC/N=C(N)/C(C)=C\N(C=O)C1OC(OC(P)OP(O)O)CC1O
InChIInChI=1S/C11H21N3O7P2/c1-6(9(12)13-2)4-14(5-15)10-7(16)3-8(19-10)20-11(22)21-23(17)18/h4-5,7-8,10-11,16-18H,3,22H2,1-2H3,(H2,12,13)/b6-4-
InChIKeyGDYMGRATJPQKEH-XQRVVYSFSA-N
XLogP-0.83
TPSA147.07 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 5-0.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethane;N-[(Z)-5-[formyl-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-4-(N'-methylcarbamimidoyl)pent-4-en-2-ynyl]formamide;1,1,1-trifluoroethane
CID 142864403
(2E,4Z)-N',2-dimethyl-5-sulfanylpenta-2,4-dienimidamide
CID 142082907
5-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 146506223
3-deuterio-1-[4-hydroxy-3-(methylamino)-6-propan-2-yloxyoxan-2-yl]propane-1,2-diol;formic acid
CID 158886606
4-hydroxy-N-(2-oxoethyl)-6-propan-2-yloxyoxane-2-carboxamide;methoxymethane
CID 178048365
[5-[[(Z)-3-amino-3-methyliminoprop-1-enyl]-formylamino]-4-fluoro-4-methyloxolan-2-yl]methyl 2-methylpropanoate
CID 144869907
3-[(2R,6S)-4,5,6-trihydroxy-7-(hydroxymethyl)oxepan-2-yl]oxybutanamide
CID 142588216
[[(2S)-5-[[(Z)-7-(16-aminohexadecanoylamino)-2-(N'-methylcarbamimidoyl)hept-1-en-3-ynyl]-formylamino]oxolan-2-yl]methoxy-methoxyphosphanyl] dimethoxyphosphanyl methyl phosphite
CID 129232277
[5-[formyl-[(Z)-2-methyl-3-(methylamino)-3-oxoprop-1-enyl]amino]oxolan-2-yl]methyl 4-aminobutanoate
CID 177044439
(5R)-9-[[(4R)-3,4-dihydroxy-5-methoxy-4-methylpentan-2-yl]amino]-5-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-6-hydroxy-2-methylnonanal
CID 142182643
[5-[formyl-[(Z)-[2-methylimino-5-(4-pentylphenyl)furan-3-ylidene]methyl]amino]-3-hydroxyoxolan-2-yl]methyl acetate
CID 143574767
methanol;N-methylmethanesulfonamide;2-methyl-6-propan-2-yloxyoxane-3,4-diol
CID 145382668

Frequently Asked Questions

What is the IUPAC name of [[5-[[(Z)-3-amino-2-methyl-3-methyliminoprop-1-enyl]-formylamino]-4-hydroxyoxolan-2-yl]oxy-phosphanylmethyl] dihydrogen phosphite?
The IUPAC name of [[5-[[(Z)-3-amino-2-methyl-3-methyliminoprop-1-enyl]-formylamino]-4-hydroxyoxolan-2-yl]oxy-phosphanylmethyl] dihydrogen phosphite (CID 142962540) is [[5-[[(Z)-3-amino-2-methyl-3-methyliminoprop-1-enyl]-formylamino]-4-hydroxyoxolan-2-yl]oxy-phosphanylmethyl] dihydrogen phosphite.
What is the SMILES notation for [[5-[[(Z)-3-amino-2-methyl-3-methyliminoprop-1-enyl]-formylamino]-4-hydroxyoxolan-2-yl]oxy-phosphanylmethyl] dihydrogen phosphite?
The canonical SMILES for [[5-[[(Z)-3-amino-2-methyl-3-methyliminoprop-1-enyl]-formylamino]-4-hydroxyoxolan-2-yl]oxy-phosphanylmethyl] dihydrogen phosphite is C/N=C(N)/C(C)=C\N(C=O)C1OC(OC(P)OP(O)O)CC1O.
What is the InChIKey of [[5-[[(Z)-3-amino-2-methyl-3-methyliminoprop-1-enyl]-formylamino]-4-hydroxyoxolan-2-yl]oxy-phosphanylmethyl] dihydrogen phosphite?
The InChIKey is GDYMGRATJPQKEH-XQRVVYSFSA-N. The full InChI is InChI=1S/C11H21N3O7P2/c1-6(9(12)13-2)4-14(5-15)10-7(16)3-8(19-10)20-11(22)21-23(17)18/h4-5,7-8,10-11,16-18H,3,22H2,1-2H3,(H2,12,13)/b6-4-.
What are the key properties of [[5-[[(Z)-3-amino-2-methyl-3-methyliminoprop-1-enyl]-formylamino]-4-hydroxyoxolan-2-yl]oxy-phosphanylmethyl] dihydrogen phosphite?
[[5-[[(Z)-3-amino-2-methyl-3-methyliminoprop-1-enyl]-formylamino]-4-hydroxyoxolan-2-yl]oxy-phosphanylmethyl] dihydrogen phosphite has a molecular weight of 369.25 g/mol, XLogP of -0.83, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [[5-[[(Z)-3-amino-2-methyl-3-methyliminoprop-1-enyl]-formylamino]-4-hydroxyoxolan-2-yl]oxy-phosphanylmethyl] dihydrogen phosphite is sourced from PubChem (CID 142962540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).